2 Aux

START OF MOPAC FILE
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Start of Input data
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MOPAC_VERSION=MOPAC2012.13.085W
DATE="Mon Apr 15 21:45:44 2013"
TITLE=""
KEYWORDS=" PM7 XYZ CHARGE=0 SINGLET BONDS AUX"
COMMENTS="Mopac file generated by Gabedit"
ATOM_EL[0050]=
La La La La La Fe Fe Mn Mn Mn O O O O O O O O O O O O O O O La L
a La La La Fe Fe Mn Mn Mn O O O O O
O O O O O O O O O O
ATOM_CORE[0050]=
3 3 3 3 3 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 3
3 3 3 3 8 8 7 7 7 6 6 6 6 6
6 6 6 6 6 6 6 6 6 6
ATOM_X:ANGSTROMS[0150]=
0.2610
0.9059
1.1558
0.9992
0.2130 -0.2386
1.7920 -1.4818
0.2960
3.3638 -1.5225
0.5228
1.6627 -1.0331
2.4319
1.3299
0.4706
2.4734
2.1553 -0.2265
1.0659
0.6304 -1.6561
1.4985
1.6013
1.6601
0.6215
2.5636 -1.8931
1.6516
0.4011
1.4346
2.9579
-0.2602
0.6627 -0.1218
2.0773
1.4164 -0.7658
0.5847
2.6047
1.0343
2.5635
1.4073
1.9407
3.0010
2.4747
1.1153
3.0985 -1.1184
2.1871
1.6029 -0.3138
3.8571
1.1273 -0.2900
1.3287
1.0163 -2.8779
0.6475
0.7774 -2.2698
2.8950
1.7946 -0.8661 -1.0755
-0.8481 -1.2036
1.4387
3.0464 -2.5541 -0.4341
3.6292 -0.0523
0.3407
-3.1836
0.7505
0.1367
-1.9643
0.0131 -0.6870
-0.3314 -0.3774 -1.4485
-0.9311 -1.2284 -2.6988
-0.4738 -0.1852
0.0640
-1.3709
1.3299
0.4547
-1.6193
0.0158 -2.3562
-1.6390 -1.2730 -1.4752
-3.1675
0.9560 -1.3336
-0.3426
1.2200 -1.2594
-2.7468
2.0772
0.8257
-2.7970 -0.5683
0.7147
-3.0760 -1.0215 -1.4031
-3.8986
0.6872 -2.7462
-4.5324
0.9772 -0.5030
-1.1040
1.4862 -2.9223
0.3578
2.6642 -1.4954
-0.9198
2.6910 -0.4540
-2.0578
1.1296 -1.2004
-0.3064 -1.5977 -0.5640
-1.3352
0.8826
1.8821
-1.8198 -2.9067 -1.5641
0.4411 -1.5377 -2.6877
-1.8756 -0.7010 -3.7421
0.7229
0.6253 -2.3617
AO_ATOMINDEX[0300]=
1
1
1
1
1
1
1
1
1
2
2
2
2
3
3
3
3
3
3
3
3
3
4
4
4
4
4
4
4
4
4
5
5
5
5
6
6
6
6
6
6
6
6
6
7
7
7
7
7
7
7
8
8
8
8
8
8
9
9
9
9
9
9
9
9
9 10 10 10 10 10
11 11 11 12 12 12 12 13 13
13 13 14 14 14 14 15 15 15 15 16
17 17 18 18 18 18 19 19 19
19 20 20 20 20 21 21 21 21 22 22
23 24 24 24 24 25 25 25 25
26 26 26 26 26 26 26 26 26 27 27
27 27 28 28 28 28 28 28 28
28 28 29 29 29 29 29 29 29 29 29
30 30 30 30 31 31 31 31 31
31 31 31 31 32 32 32 32 32 32 32
33 33 33 33 33 33 34 34 34
34 34 34 34 34 34 35 35 35 35 35
36 36 36 37 37 37 37 38 38
38 38 39 39 39 39 40 40 40 40 41
42 42 43 43 43 43 44 44 44
44 45 45 45 45 46 46 46 46 47 47
48 49 49 49 49 50 50 50 50
ATOM_SYMTYPE[0300]=
S PX PY PZ X2 XZ Z2 YZ XY S PX PY PZ X2 XZ Z2 YZ XY S
Y S PX PY PZ X2 XZ Z2 YZ XY S PX PY PZ
X2 XZ Z2 YZ XY S PX PY PZ X2 XZ Z2 YZ XY S PX PY PZ X2
Z X2 XZ Z2 YZ XY S PX PY PZ X2 XZ Z2 YZ
XY S PX PY PZ X2 XZ Z2 YZ XY S PX PY PZ S PX PY PZ S
S PX PY PZ S PX PY PZ S PX PY PZ S PX
PY PZ S PX PY PZ S PX PY PZ S PX PY PZ S PX PY PZ S
S PX PY PZ S PX PY PZ X2 XZ Z2 YZ XY S
PX PY PZ X2 XZ Z2 YZ XY S PX PY PZ X2 XZ Z2 YZ XY S PX
S PX PY PZ X2 XZ Z2 YZ XY S PX PY PZ X2
XZ Z2 YZ XY S PX PY PZ X2 XZ Z2 YZ XY S PX PY PZ X2 XZ
2 XZ Z2 YZ XY S PX PY PZ X2 XZ Z2 YZ XY
S PX PY PZ S PX PY PZ S PX PY PZ S PX PY PZ S PX PY
Y PZ S PX PY PZ S PX PY PZ S PX PY PZ
S PX PY PZ S PX PY PZ S PX PY PZ S PX PY PZ S PX PY
AO_ZETA[0300]=
3.3990 1.8120 1.8120 1.8120 1.8946 1.8946 1.8946
1.8120 1.8120 1.8120 1.8946 1.8946 1.8946 1.8946
1.8120 1.8120 1.8946 1.8946 1.8946 1.8946 1.8946
1.8120 1.8946 1.8946 1.8946 1.8946 1.8946 3.3990
1.8946 1.8946 1.8946 1.8946 1.8946 1.1576 2.7376
1.8608 1.8608 1.8608 1.8608 1.1576 2.7376 2.7376
1.8608 1.8608 1.8608 1.6664 2.0787 2.0787 2.0787
2.8971 2.8971 1.6664 2.0787 2.0787 2.0787 2.8971
10
10
10
10
11
16
16
16
17
17
22
22
23
23
23
27
27
27
27
27
30
30
30
30
30
32
32
33
33
33
35
35
35
35
36
41
41
41
42
42
47
47
48
48
48
PX PY PZ X2 XZ Z2 YZ X
XZ Z2 YZ XY S PX PY P
PX PY PZ S PX PY PZ
PX PY PZ S PX PY PZ
PY PZ X2 XZ Z2 YZ XY
Z2 YZ XY S PX PY PZ X
PZ S PX PY PZ S PX P
PZ
1.8946
1.8946
3.3990
1.8120
2.7376
2.7376
2.8971
2.8971
1.8946
3.3990
1.8120
1.8120
2.7376
1.8608
2.8971
2.8971
3.3990
1.8120
1.8120
1.8120
1.8608
1.8608
2.8971
2.8971
2.8971 1.6664 2.0787 2.0787 2.0787 2.8971 2.8971

5.9723 2.3490 2.3490 2.3490 5.9723 2.3490 2.3490
2.3490 2.3490 5.9723 2.3490 2.3490 2.3490 5.9723
5.9723 2.3490 2.3490 2.3490 5.9723 2.3490 2.3490
2.3490 2.3490 5.9723 2.3490 2.3490 2.3490 5.9723
5.9723 2.3490 2.3490 2.3490 5.9723 2.3490 2.3490
2.3490 2.3490 5.9723 2.3490 2.3490 2.3490 5.9723
3.3990 1.8120 1.8120 1.8120 1.8946 1.8946 1.8946
1.8120 1.8120 1.8120 1.8946 1.8946 1.8946 1.8946
1.8120 1.8120 1.8946 1.8946 1.8946 1.8946 1.8946
1.8120 1.8946 1.8946 1.8946 1.8946 1.8946 3.3990
1.8946 1.8946 1.8946 1.8946 1.8946 1.1576 2.7376
1.8608 1.8608 1.8608 1.8608 1.1576 2.7376 2.7376
1.8608 1.8608 1.8608 1.6664 2.0787 2.0787 2.0787
2.8971 2.8971 1.6664 2.0787 2.0787 2.0787 2.8971
2.8971 1.6664 2.0787 2.0787 2.0787 2.8971 2.8971
5.9723 2.3490 2.3490 2.3490 5.9723 2.3490 2.3490
2.3490 2.3490 5.9723 2.3490 2.3490 2.3490 5.9723
5.9723 2.3490 2.3490 2.3490 5.9723 2.3490 2.3490
2.3490 2.3490 5.9723 2.3490 2.3490 2.3490 5.9723
5.9723 2.3490 2.3490 2.3490 5.9723 2.3490 2.3490
2.3490 2.3490 5.9723 2.3490 2.3490 2.3490 5.9723
ATOM_PQN[0300]=
6 6 6 6 5 5 5 5 5 6 6 6 6 5 5 5 5 5 6 6 6 6 5 5 5 5 5 6
5 5 5 5 5 4 4 4 4 3 3 3 3 3 4 4 4 4 3 3 3 3 3 4 4 4 4 3
3 4 4 4 4 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
6 6 6 5 5 5 5 5 6 6 6 6 5 5 5 5 5 6 6 6 6 5 5 5 5 5 6 6
3 3 3 3 4 4 4 4 3 3 3 3 3 4 4 4 4 3 3 3 3 3 4 4 4 4 3 3
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
NUM_ELECTRONS=0284
EMPIRICAL_FORMULA="O30 La10 Fe4 Mn6 =
50 atoms"
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Geometry optimization
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HEAT_OF_FORM_UPDATED:KCAL/MOL=+0.122524D+06
GRADIENT_UPDATED:KCAL/MOL/ANG=+0.990127D+05
ATOM_X_UPDATED:ANGSTROMS[0150]=
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0.9059
1.1558
0.9992
0.2130 -0.2386
1.7920 -1.4818
0.2960
3.3638 -1.5225
0.5228
1.6627 -1.0331
2.4319
1.3299
0.4706
2.4734
2.1553 -0.2265
1.0659
0.6304 -1.6561
1.4985
1.6013
1.6601
0.6215
2.5636 -1.8931
1.6516
0.4011
1.4346
2.9579
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2.0773
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0.5847
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1.0343
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3.0010
2.4747
1.1153
3.0985 -1.1184
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1.6029 -0.3138
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3
2
2
6
3
2
6
3
2
2
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3
2
6
3
2
6
5
3
2
5
3
2
6
5
4
2
2.8971
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1.8946
3.3990
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6
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4
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2.8971
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1.0989 -3.9162
-0.0481
3.1924 -2.6934
-1.1232
3.1546 -0.6513
-2.1235
1.2482 -1.9024
-1.1306 -1.1455 -1.8369
-1.0687
0.4694
4.0363
0.4420 -3.1848 -2.0705
-1.0001 -1.9871 -4.7647
-3.5790 -0.8458 -4.1056
1.1672
0.7517 -2.7066
-0.4641
2.6052
3.9561
2.6766
1.4941 -1.3231
1.9321 -3.1359 -0.4787

5.1333 -2.3174
0.5983
0.7383 -0.7250
3.6642
2.7851
1.6794
3.7420
2.9537 -0.1170
1.4081
-0.4804 -3.0290
1.7443
1.0451
2.3263
1.2822
2.6700 -3.0100
2.5348
1.3666
2.9941
2.9380
0.4976
1.5068 -0.5406
2.7958
1.6475
0.6901
-0.6468
2.2987
1.9370
4.0363
1.1389
2.8972
1.3368
3.6147
0.4209
3.2587 -1.2805
2.6846
1.7017
1.9600
4.9495
1.1713
0.4601
1.9780
0.7687 -3.9239
2.1589
-1.1012 -2.0782
3.1113
2.0220 -1.0664 -0.2383
-1.2959 -3.7131
0.3051
4.0602 -3.3046 -0.7028
4.4819 -0.3857
0.4073
-2.5186 -0.5150
2.7225
-3.1944 -0.5118 -1.0727
0.3506 -1.1801 -3.4604
-2.7303 -2.7448 -4.1094
-0.0050 -0.3879
0.1673
-1.9432
2.2084
0.3201
-2.5688
0.5937 -3.8705
-1.1528 -2.9254 -1.3006
-3.6822
2.4861 -1.9943
-0.3384
1.7197 -2.2435
-2.9159
1.4574
1.4068
-2.2906 -0.8469
0.7436
-2.8016 -2.9825 -2.0000
-3.6386
2.0387 -3.7932
-4.7123
3.1995 -1.0299
-0.8363
1.0988 -3.9159
-0.0485
3.1925 -2.6936
-1.1238
3.1544 -0.6512
-2.1238
1.2481 -1.9024
-1.1307 -1.1451 -1.8365
-1.0681
0.4692
4.0363
0.4420 -3.1844 -2.0702
-1.0002 -1.9871 -4.7643
-3.5792 -0.8460 -4.1057
1.1672
0.7516 -2.7063
-0.4639
2.6053
3.9561
2.6768
1.4942 -1.3232
1.9322 -3.1361 -0.4791
5.1334 -2.3168
0.5976
0.7385 -0.7250
3.6642
2.7853
1.6794
3.7418
2.9538 -0.1168
1.4080
-0.4801 -3.0290
1.7443
1.0449
2.3264
1.2821
2.6703 -3.0097
2.5345
1.3666
2.9941
2.9378
0.4977
1.5068 -0.5406
2.7958
1.6479
0.6899
-0.6469
2.2989
1.9372
4.0364
1.1390
2.8969
1.3362
3.6149
0.4207
3.2591 -1.2803
2.6843
1.7020
1.9600
4.9494
1.1714
0.4603
1.9780
0.7689 -3.9239
2.1586
-1.1008 -2.0781
3.1112
2.0216 -1.0665 -0.2383
-1.2955 -3.7134
0.3053
4.0602 -3.3042 -0.7032
4.4817 -0.3853
0.4068
-2.5184 -0.5150
2.7226
-3.1945 -0.5121 -1.0725
0.3503 -1.1802 -3.4605
-2.7304 -2.7449 -4.1091
-0.0048 -0.3880
0.1671
-1.9432
2.2083
0.3203
-2.5689
0.5938 -3.8703
-1.1529 -2.9256 -1.3005
-3.6825
2.4859 -1.9938
-0.3385
1.7196 -2.2435
-2.9157
1.4576
1.4072
-2.2907 -0.8469
0.7437
-2.8017 -2.9826 -1.9998
-3.6383
2.0390 -3.7929
-4.7131
3.1981 -1.0290
-0.8364
1.0987 -3.9158
-0.0484
3.1925 -2.6937
-1.1238
3.1542 -0.6512
-2.1238
1.2480 -1.9022
-1.1308 -1.1451 -1.8364
-1.0680
0.4691
4.0364
0.4417 -3.1847 -2.0705
-1.0006 -1.9870 -4.7644
-3.5793 -0.8461 -4.1054
1.1672
0.7513 -2.7061
-0.4639
2.6052
3.9562
2.6766
1.4943 -1.3233
1.9322 -3.1359 -0.4789
5.1335 -2.3172
0.5981
0.7385 -0.7250
3.6642
2.7853
1.6794
3.7418
2.9538 -0.1170
1.4080
-0.4802 -3.0290
1.7443
1.0450
2.3263
1.2822
2.6702 -3.0098
2.5347
1.3667
2.9940
2.9379
0.4976
1.5068 -0.5407
2.7958
1.6476
0.6897
-0.6468
2.2988
1.9372
4.0364
1.1389
2.8969
1.3365
3.6147
0.4208
3.2591 -1.2804
2.6844
1.7019
1.9600
4.9494
1.1715
0.4602
1.9780
0.7689 -3.9239
2.1587
-1.1010 -2.0782
3.1111
2.0217 -1.0664 -0.2382
-1.2955 -3.7132
0.3052
4.0603 -3.3043 -0.7029
4.4819 -0.3856
0.4070
-2.5185 -0.5150
2.7226
-3.1945 -0.5120 -1.0726
0.3504 -1.1801 -3.4606
-2.7304 -2.7450 -4.1091
-0.0049 -0.3879
0.1672
-1.9433
2.2083
0.3203
-2.5690
0.5937 -3.8704
-1.1528 -2.9254 -1.3005
-3.6824
2.4861 -1.9940
-0.3386
1.7196 -2.2435
-2.9157
1.4577
1.4073
-2.2908 -0.8467
0.7437
-2.8016 -2.9825 -1.9998
-3.6386
2.0388 -3.7931
-4.7130
3.1986 -1.0295
-0.8366
1.0988 -3.9159
-0.0486
3.1925 -2.6935
-1.1240
3.1542 -0.6512
-2.1239
1.2480 -1.9023
-1.1307 -1.1450 -1.8365
-1.0679
0.4690
4.0364
0.4419 -3.1843 -2.0704
-1.0005 -1.9872 -4.7644
-3.5793 -0.8461 -4.1058
1.1671
0.7515 -2.7062
####################################
#
#
#
Final SCF results
#
#
#
####################################
HEAT_OF_FORMATION:KCAL/MOL=-0.299561D+04
ENERGY_ELECTRONIC:EV=-0.130479D+06
ENERGY_NUCLEAR:EV=+0.118194D+06
GRADIENT_NORM:KCAL/MOL/ANGSTROM=+0.988377D+00
POINT_GROUP=C1
DIPOLE:DEBYE=+0.110238D+02
DIP_VEC:DEBYE[3]= +0.30513D+01 -0.10568D+02 -0.73041D+00
AREA:SQUARE ANGSTROMS=+0.529436D+03
VOLUME:CUBIC ANGSTROMS=+0.973503D+03
IONIZATION_POTENTIAL:EV=+0.690290D+01
SPIN_COMPONENT=+0.000000D+00
TOTAL_SPIN=+0.000000D+00
NUMBER_SCF_CYCLES=259
NUM_ALPHA_ELECTRONS=0
NUM_BETA_ELECTRONS=0
CPU_TIME:SEC=+0.111013D+04
MOLECULAR_WEIGHT:AMU=+0.242206D+04
TOTAL_ENERGY:EV=-0.122845D+05
ATOM_X_OPT:ANGSTROMS[0150]=
-0.4639
2.6052
3.9562
2.6766
1.4943 -1.3233
1.9322 -3.1359 -0.4789

5.1335 -2.3172
0.5981
0.7385 -0.7250
3.6642
2.7853
1.6794
3.7418
2.9538 -0.1170
1.4080
-0.4802 -3.0290
1.7443
1.0450
2.3263
1.2822
2.6702 -3.0098
2.5347
1.3667
2.9940
2.9379
0.4976
1.5068 -0.5407
2.7958
1.6476
0.6897
-0.6468
2.2988
1.9372
4.0364
1.1389
2.8969
1.3365
3.6147
0.4208
3.2591 -1.2804
2.6844
1.7019
1.9600
4.9494
1.1715
0.4602
1.9780
0.7689 -3.9239
2.1587
-1.1010 -2.0782
3.1111
2.0217 -1.0664 -0.2382
-1.2955 -3.7132
0.3052
4.0603 -3.3043 -0.7029
4.4819 -0.3856
0.4070
-2.5185 -0.5150
2.7226
-3.1945 -0.5120 -1.0726
0.3504 -1.1801 -3.4606
-2.7304 -2.7450 -4.1091
-0.0049 -0.3879
0.1672
-1.9433
2.2083
0.3203
-2.5690
0.5937 -3.8704
-1.1528 -2.9254 -1.3005
-3.6824
2.4861 -1.9940
-0.3386
1.7196 -2.2435
-2.9157
1.4577
1.4073
-2.2908 -0.8467
0.7437
-2.8016 -2.9825 -1.9998
-3.6386
2.0388 -3.7931
-4.7130
3.1986 -1.0295
-0.8366
1.0988 -3.9159
-0.0486
3.1925 -2.6935
-1.1240
3.1542 -0.6512
-2.1239
1.2480 -1.9023
-1.1307 -1.1450 -1.8365
-1.0679
0.4690
4.0364
0.4419 -3.1843 -2.0704
-1.0005 -1.9872 -4.7644
-3.5793 -0.8461 -4.1058
1.1671
0.7515 -2.7062
ATOM_CHARGES[0050]=
+1.76827 +1.83460 +1.75632 +1.82661
6 -1.38375
-0.81100 -0.86985 -0.89067 -0.87585
6 +0.14982
-0.74057 -1.17512 -0.18781 -1.15155
3 +1.61746
+1.03154 +1.02639 +0.25699 -0.39664
9 -0.12794
-0.67488 -0.12480 -0.47177 -0.62990
9 -1.01405
GRADIENTS:KCAL/MOL/ANGSTROM[0150]=
+1.78506 +1.00407 +1.23988 -0.34379 +1.1847

-0.66395 -0.28087 -0.32491 -0.95341 -1.0250
-1.05424 +1.86621 +1.77248 +1.82434 +1.7975
+0.98961 -0.99133 -1.18038 -0.82114 -0.3467
-0.82346 -1.25394 -0.88855 -1.17389 -1.0800
-0.0844 0.0105 0.0717

0.0448
-0.0295 0.0013 0.1159
7 0.1431
0.1104 0.1142 0.0193
7 0.0670
0.0833 0.0560 0.0649
6 -0.0578
0.0121 -0.0109 0.1105
1 0.0592
0.0154 -0.0361 0.0475
9 -0.0414
0.0011 -0.0532 -0.0177
1 0.0579
0.0557 -0.0559 0.1252
3 0.0858
0.0307 0.0507 0.0084
4 0.0536
0.0977 -0.0567 -0.1505
9 0.1751
-0.1438 -0.0307 0.1276
2 -0.0443
0.0244 -0.0710 -0.0981
9 -0.0718
-0.0812 0.0003 0.0096
2 -0.1567
0.0032 0.0580 -0.0267
3 0.0466
0.0125 -0.1295 0.0436
7 -0.0550
OVERLAP_MATRIX[045150]=
# Lower half triangle only
1.0000 0.0000 1.0000
0 1.0000
0.0000 0.0000 0.0000
0 0.0000
1.0000 0.0000 0.0000
0 0.0000
0.0000 0.0000 0.0000
0 0.0000
0.0000 0.0000 0.0000
5 0.0000
-0.0001 0.0001 0.0000
7 -0.0003
0.0025 -0.0031 -0.0013
1 -0.0031
0.0005 -0.0013 0.0011
5 0.0087
-0.0031 -0.0129 0.0015
0 0.0000
1.0000 0.0000 0.0003
4 -0.0001
0.0000 0.0000 0.0000
3 -0.0003
0.0017 -0.0017 -0.0008
0 1.0000
0.0001 0.0031 -0.0011
5 0.0000
0.0000 0.0000 0.0000
6 -0.0019
-0.0187 -0.1799
0.0122 -0.0716
0.0797 -0.051
-0.0899 -0.0294 -0.2495

0.0541
0.0550
0.1133
0.1167 -0.186
0.0024 -0.2003 -0.0177 -0.062
0.0392 -0.0401 -0.0705

-0.0856
0.0601
0.1541
-0.1540 -0.0402 -0.0068
0.0893 -0.0432
0.047
0.0408 -0.0393 -0.067

0.0321
0.0326 -0.054
0.1008
0.0639 -0.0773 -0.0193
0.0031 -0.064
0.0515
0.0459
0.0251 -0.1109 -0.0601
0.027
0.0246 -0.0725 -0.0568
0.0143 -0.0449
0.022
0.0335
0.0969 -0.0654
0.011
0.0426
0.0619
0.1366 -0.1902 -0.0218
0.0029 -0.0215 -0.049
0.0461 -0.0650 -0.0530 -0.0201 -0.0127

-0.0862 -0.1001
0.1078
0.285
0.0047 -0.0380
0.111
-0.0384 -0.0290 -0.0649 -0.0233 -0.0336
0.010
0.0125 -0.0416
0.0655
0.1435
0.0003
0.025
0.0000
0.0000
1.0000
0.0000
0.0000
0.000
0.0000
1.0000
0.0000
0.0000
0.0000
0.000
0.0000
0.0000
0.0000
0.0000
1.0000
0.000
0.0000
0.0000
1.0000
0.0000
0.0000
0.000
0.0000
1.0000
0.0000
0.0003 -0.0001 -0.000
0.0000
1.0000 -0.0003 -0.0034
0.0018
0.008
0.0005
0.0000
1.0000
0.0001
0.0018
0.001
-0.0006
0.0003
0.0000
0.0000
1.0000
0.000
-0.0053
0.0035
0.0019 -0.0013
0.0000
0.000
-0.0005 -0.0015
0.0000 -0.0003
0.0006
0.000
0.0000
1.0000 -0.0001 -0.0025
0.0013
0.005
0.0004
0.0000
0.000
-0.0035
0.0000
0.0000
0.0000
0.0000
0.0006 -0.0017
0.0007
0.0006 -0.000
0.0000
0.0000
0.0013
1.0000
0.000
0
4
0
0
6
0
0
2
0
2
7
0
3
1
2
0
0
0
2
5
0
1
8
0
4
4
2
0
7
1
0.0004
0.0000
0.0000
-0.0005
0.0002
0.0000
1.0000
0.0000
0.0000
1.0000
0.0000
0.0023
0.0184
1.0000
0.0000
0.0144
-0.0255
0.0000
1.0000
-0.0001
-0.0026
0.0000
0.0000
0.0000
-0.0001
0.0135
-0.0148
0.0001
0.0000
0.0032
0.0009
1.0000
0.0000
-0.0027
0.0054
0.0000
0.0000
-0.0001
0.0000
-0.0019
0.0114
0.0000
1.0000
0.0000
0.0016
0.0000
0.0000
0.0000
0.0000
-0.0083
0.0042
0.0426
0.0568
0.0002
0.0000
0.0196
-0.0079
-0.1315
0.0557
0.0000
-0.0008
0.0006 -0.0003
0.0002
0.0000
0.0000
0.0000
0.000
0.0000
1.0000
0.0000 -0.0005 -0.0003
0.0013 -0.0001
0.000
-0.0001
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.000
-0.0023 -0.0144
0.0026 -0.0047 -0.0003 -0.0027 -0.0018
0.001
-0.0001
0.0004
0.0003
0.0000 -0.0001
0.000
-0.0255
0.0047 -0.0155
0.0027 -0.0054 -0.0047 -0.0146
0.000
0.0001
0.0000
0.0004 -0.0008 -0.0007 -0.0001 -0.0001
0.0000
0.0003 -0.000
-0.1363
0.0290 -0.0591 -0.0047 -0.0335 -0.0257
0.0227
0.000
0.0000
0.0003 -0.0007 -0.0005 -0.0001 -0.0001
0.0000
0.000
0.0047
0.0290
0.0173
0.0000
1.0000
0.0000 -0.0001
0.0142 -0.0022
0.0120 -0.0134 -0.004
0.0001
0.0001
0.0000
0.000
0.0000 -0.0047
0.0155
0.0591 -0.0142
0.0281
0.0032
0.015
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.000
0.0000
0.0000
0.0000
0.0000 -0.0003 -0.0027
0.0047
0.002
0.0018 -0.0019
0.0024
0.0000
0.0000
0.0000
0.0000
0.000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.000
0.0335 -0.0120
0.0153
0.0018
0.0093
0.0114 -0.0051
0.000
0.0000
0.0000
0.0000
1.0000
0.0000
0.0001 -0.0003 -0.000
0.0000
0.0001 -0.0001 -0.0018
0.0047
0.0257
0.0134
0.013
0.000
-0.0105 -0.0050
0.0000
0.0000
1.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0002
0.0001
0.0000
0.0000
0.0000 -0.000
0.0146 -0.0227
0.0047 -0.0148
0.0024 -0.0051 -0.0050 -0.011
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
1.0000
0.000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.005
0.0014 -0.0011 -0.0021 -0.0027
0.0048
0.1266
0.032
0.0000 -0.0002
0.000
-0.0012
0.0409 -0.0294
0.0105
0.0001
0.0000 -0.0001
0.0067
0.0211
-0.0436 -0.1000
0.0311
1.0000
0.0001 -0.0054 -0.0170
0.0535 -0.027
0.0156 -0.1266 -0.3265 -0.1175 -0.1546 -0.120

0.0000
1.0000
0.0000
0.0002 -0.0002 -0.000
6
6
1
6
9
0
6
9
0
9
6
0
0
6
0
0
4
2
0
0
1
0
2
4
6
6
6
9
6
7
-0.0001
0.0211
-0.0104
0.0142
0.0280
0.0000
0.0000
-0.0033
0.0152
0.0865
0.0151
0.0000
0.0000
-0.0056
-0.0083
0.0827
-0.0175
-0.0001
0.0001
-0.0211
0.0033
-0.0589
0.0827
0.0000
1.0000
0.0000
-0.0011
-0.0294
-0.0557
0.0000
0.0000
0.0000
0.0000
-0.0042
0.0102
-0.0243
0.0065
1.0000
0.0000
-0.0027
-0.0156
0.1000
-0.0831
0.0000
0.0000
-0.0101
-0.0479
0.0000
-0.0002
-0.0014
0.0022
0.0000
0.0002
0.0365
-0.0161
-0.0040
0.0004
0.0031
0.0021
0.0000
0.0000
0.0000 -0.0001
0.0083
-0.0270 -0.0345 -0.0324 -0.1175
0.1030 -0.0395 -0.0903 -0.043
0.0000
0.0000
0.0000 -0.0001 -0.0042 -0.0270
0.0418 -0.0036
0.009
0.0051
0.0211 -0.0426 -0.1546 -0.0395
0.0810 -0.0797
0.058
-0.0436
0.0000
0.0000
0.0000
0.0000
0.000
0.0000
0.0000
0.0000
0.0000 -0.0012 -0.0196
0.0076 -0.009
0.0016
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1
1
3
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1
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2
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1
7
1
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3
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1
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1
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3
1
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0
1
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0.0545
0.0596
0.0206
0.0841
0.0000 -0.000
0.0000
0.0000
0.0001
0.0000 -0.0001
0.0030
0.0274
0.026
0.0129
0.0074
0.0000
0.0000
0.000
0.0001 -0.0002 -0.0075 -0.0002
0.0000
0.0000 -0.001
-0.0273
0.0000
0.0240 -0.0266
0.0487 -0.0614
0.0000 -0.0001
0.0006
0.0001
0.0002
0.0000
0.0000
0.000
0.0000
0.0001
0.0000
0.0000
0.0000
0.0000
0.0000
0.000
0.0370
0.0641 -0.0412
0.0615
0.0113
0.0162 -0.0236 -0.010
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.000
0.0022 -0.0040
0.0000
0.0000
0.0000
0.0011
0.000
0.0000
0.0000
0.0002
0.0000
0.0000
0.0000
0.0006
0.000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.000
-0.0127
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000

1.0000
SET_OF_MOS=
133
152
# To print all the molecular orbitals, add keyword LARGE or use
X #
EIGENVECTORS[006000]=
0.0915 0.0016 -0.0004 -0.0080 -0.0179 0.0387 0.0437
2 0.0124
0.0006 0.0013 0.0058 0.0008 0.0038 -0.0110 -0.0131
4 0.0003
0.0009 -0.0016 -0.0051 -0.0053 -0.0116 -0.0020 -0.0010
6 0.0027
0.0002 -0.0054 -0.0027 0.0031 0.0014 0.0008 0.0291
0 -0.0007
0.0070 -0.0008 0.0041 -0.0047 0.0035 0.0653 0.0035
9 0.0464
0.0579 0.0727 -0.0177 -0.0286 0.0403 -0.0058 0.0087
4 0.0066
0.0429 -0.0161 -0.0132 -0.0021 -0.0017 -0.0009 -0.0010
4 0.0385
-0.0239 -0.0280 0.0373 -0.0088 -0.0068 -0.0001 0.0594
7 -0.0106
0.0353 -0.0251 0.0031 0.0060 0.0012 0.0152 0.0098
9 0.1053
-0.0151 0.0683 0.1572 0.0455 -0.0277 0.0083 0.0117
1 0.0677
-0.0075 -0.0194 -0.0978 0.0714 0.0112 0.2368 -0.0134
8 0.0061
-0.0112 0.0354 0.0198 -0.0389 -0.0153 -0.0077 -0.0236
1 -0.0139
0.0000 -0.0236 -0.0307 0.0110 -0.0200 -0.0003 0.0023
2 -0.0091
0.0001 0.0029 -0.0006 0.0030 -0.0112 -0.0042 -0.0271
3 -0.0058
0.0004 0.0158 -0.0014 -0.0033 -0.0083 -0.0001 -0.0139
0 0.0019
0.0124 0.0038 0.0052 -0.0003 -0.0060 0.0087 0.0062
1 0.0575
0.0003 0.0217 0.0090 -0.0511 -0.0032 -0.0910 -0.0081
3 0.0036
0.0002 0.0000 0.0078 -0.0031 0.0015 -0.0116 0.0294
1 -0.0039
0.0037 -0.0006 -0.0266 -0.0041 0.0361 -0.0169 0.0191
8 0.0023
0.0068 0.0080 0.0097 -0.0081 -0.0012 0.1155 -0.0377
9 0.1682
0.1857 0.0625 -0.0382 0.1067 -0.1001 -0.0056 0.0023
4 0.1901
-0.0028 0.4496 -0.0073 -0.0096 -0.0006 0.0002 -0.0038
3 -0.0012
-0.0055 -0.0028 0.1638 0.0036 0.0094 0.0496 -0.1152
7 -0.1813
0.0936 0.0097 -0.0113 -0.0043 0.0213 0.1350 0.1105
2 0.0204
-0.0219 0.0465 0.0185 0.0511 0.0096 -0.0157 -0.0177
1 0.0174
-0.0312 -0.0338 0.0041 0.0171 0.0276 -0.2059 -0.0462
6 -0.0427
0.0386 0.0461 0.0278 -0.1565 -0.0008 -0.0196 0.0499
0 0.0258
0.0000
0.000
MOS=99999 in AU
0.0075
0.011
-0.0207
0.003
0.0093
0.000
-0.0015
0.007
-0.0015
0.001
0.0054
0.024
0.0146 -0.019
0.0371 -0.058
-0.0246
0.026
-0.0010 -0.016
-0.0003
0.003
-0.0070 -0.014
-0.0035 -0.003
-0.0052
0.004
0.0214 -0.013
0.0057
0.002
0.0226 -0.007
-0.0008 -0.001
-0.0007
0.005
-0.0084 -0.040
-0.0030 -0.002
0.0058
0.007
0.0554 -0.149
-0.1661 -0.132
-0.0146
0.001
0.0020
0.040
-0.0029 -0.021
0.0163
7 -0.0508
-0.0115
0 -0.0075
0.0199
3 -0.0812
0.0001
9 -0.0188
-0.0016
8 -0.0017
0.0043
1 0.0004
0.0011
5 0.0034
0.0131
2 0.0225
0.0004
4 0.0557
0.1285
0 -0.1635
0.2129
5 -0.0115
0.0122
1 0.2123
-0.0027
4 0.0022
-0.0320
7 -0.0010
0.0011
6 -0.0116
0.0214
0 0.0324
0.0295
4 0.0397
-0.0391
1 0.0233
-0.0194
1 0.0073
0.0040
3 -0.0018
-0.0040
7 0.0002
0.0047
1 -0.0104
-0.0036
8 -0.0093
-0.0167
8 -0.0051
-0.0072
3 0.1642
0.3513
9 0.0012
-0.0214
7 -0.0014
0.0013
9 -0.0375
0.0385
3 -0.0006
0.0022
6 -0.0034
0.0194 -0.0892
0.0825 -0.2311
0.1025
0.0096 -0.0182 -0.019
0.0411
0.0046
0.0000
0.0002
0.0063 -0.0052 -0.0642 -0.0704
0.2703
0.0029 -0.0342 -0.021
0.0006
0.0023 -0.0018 -0.0075
-0.0153 -0.0318
0.0020 -0.0003
0.0059
-0.0027 -0.0005
0.0009
0.0038 -0.0193 -0.0198
-0.0114 -0.0087
0.0369 -0.0326
0.0186
0.0012 -0.0262
0.0108 -0.0088
0.0001 -0.0166
0.0007
0.006
0.003
0.023
0.0239 -0.002
0.0062
0.002
0.0073 -0.0010
0.001
0.0150 -0.0115
0.0340 -0.0128
0.123
0.0010 -0.0042
0.0046 -0.0646
0.107
0.0082
0.000
-0.0171 -0.0078 -0.0200 -0.0012 -0.0097

0.0362 -0.0364 -0.0254
0.0010
0.0048
-0.0428
0.0171 -0.0978
-0.0653
0.0002 -0.0001 -0.0013
0.0008
0.0073
0.0038 -0.1017 -0.0419 -0.716
0.0531
0.0026
0.0148
0.0178
-0.0317
0.0308 -0.0102
0.0006 -0.0057 -0.0101 -0.0042
0.022
0.0837
0.0045 -0.0149
0.0106 -0.0137 -0.0058
0.025
0.0118 -0.0207 -0.0159 -0.0180 -0.0771 -0.0242

-0.0069 -0.0056 -0.0045
0.0128
0.0261
0.0113
0.0085
0.1446 -0.002
0.0031
0.027
-0.0101 -0.0655
0.0131 -0.0243 -0.0060 -0.0372 -0.0029 -0.001
-0.0658
0.0045
0.0089 -0.0074 -0.0226 -0.0065
-0.0041
0.0025
0.0003 -0.0119 -0.0009
0.0219 -0.0031
0.015
-0.0087 -0.0003 -0.0183 -0.0049 -0.0188
0.0119 -0.0089
0.024
0.0140 -0.048
0.0053
0.0080 -0.0057
0.0015 -0.0119 -0.0049
0.0019
0.0103
0.0147 -0.0071
0.0034 -0.0085
0.0022
0.0000 -0.000
0.0147 -0.0047
0.0039
0.0001
0.001
0.0001 -0.0051 -0.0030
0.000
0.0013 -0.0170
0.0486
-0.0098 -0.0003 -0.0221 -0.0093

0.0229
0.1125
0.0004 -0.0001
0.0016 -0.1282
0.016
0.0131 -0.0227 -0.0008
0.0006 -0.0003
0.0068 -0.0067
0.012
-0.0022
0.0010
0.004
0.0025
0.0028 -0.0004
-0.0031 -0.0039 -0.0058
0.0114
0.0375 -0.0089 -0.007
0.0004
0.0042
0.0034
0.0280 -0.019
0.0070
0.0039
0.0046
0.0054 -0.003
0.0547
0.0058 -0.0101
0.0083
0.0034 -0.0008 -0.0002
0.0002 -0.0033
0.0014
0.002
-0.0084
4 -0.0617
0.0007
9 -0.0087
0.0021
4 -0.0074
0.0182
6 -0.0123
0.0000
6 -0.0051
0.0009
5 0.0022
-0.0014
1 -0.0042
0.0150
0 0.0133
0.0004
6 0.0737
0.1483
7 0.1759
-0.1947
1 -0.0292
0.0410
3 0.0052
-0.0071
3 0.0460
-0.0248
7 -0.0089
0.0000
3 -0.0198
0.0241
2 -0.0948
-0.0371
0 -0.0315
0.0545
6 0.0091
0.0208
5 -0.0079
-0.0051
1 0.0016
0.0052
6 0.0012
-0.0064
6 0.0128
-0.0138
5 -0.0083
-0.0054
1 -0.0248
0.0125
5 -0.2293
-0.4784
5 0.0185
0.0092
0 0.0064
0.0002
6 0.0472
0.0081
6 0.0059
-0.0033
1 0.0019
-0.0047
0.0083 -0.0055
0.0114
0.0105 -0.0075 -0.0184 -0.0316
0.0128 -0.0261 -0.0146
0.013
0.0403
0.0409
0.0339
0.002
0.0059
-0.0370 -0.0003 -0.0071
0.0005
0.0076
0.0046
0.005
0.0011 -0.0003 -0.0008
0.0002
0.0007 -0.0031 -0.0102
0.013
-0.0016
0.0001
0.0000
0.0063 -0.0182 -0.0214 -0.0057 -0.011
0.0038 -0.0040 -0.0862 -0.0419

-0.0087
0.0112
0.0110
0.004
0.0096
0.0050
0.0294 -0.0061 -0.002
0.0026
0.0121
0.0005
0.0052 -0.0016
0.000
0.0077 -0.0042
0.0385 -0.0157
0.118
-0.0292 -0.0710
0.0056
0.1255
0.0007
0.0053 -0.0027 -0.0013
-0.0370 -0.0005
0.0103
-0.0389
0.0028 -0.0057
0.0458
0.0730 -0.0019 -0.0017
0.0008 -0.0187
0.1495 -0.179
0.0027
0.0636 -0.010
0.0356
0.0134 -0.1551 -0.1254 -0.1700 -0.447
0.0102
0.0326
0.0185
0.0089
0.022
0.0045 -0.0027
0.0063
0.017
0.0246 -0.0066 -0.0131 -0.0057 -0.0267 -0.0941

-0.0139 -0.0030 -0.0013
0.0226
0.0040
0.0019 -0.0029
0.0471 -0.0431 -0.0282
0.0806
0.0357
0.0897
0.0276
0.0100 -0.0132
0.0760 -0.004
0.0050 -0.032
0.0073 -0.0175 -0.0100 -0.0581 -0.0258 -0.005
0.0978 -0.0095
0.0010 -0.0033
0.0438 -0.0074
0.0173 -0.009
0.0054 -0.0029
0.0004
0.0179
0.0002 -0.0249
0.0013 -0.014
0.0083 -0.0011
0.0339 -0.0006
0.0342 -0.0064
0.0222 -0.040
-0.0069 -0.0091
0.0172 -0.0056
0.0090
0.0056
0.0007 -0.006
-0.0131 -0.0204
0.0183
0.0066
0.0117
0.0091
0.0035 -0.001
0.0110 -0.0392 -0.0215
0.0044
0.0000 -0.0015
-0.0069
0.0048
0.0115
0.0035
0.0152 -0.0011
0.0021
0.0016 -0.003
0.0013
0.0011
0.0022
0.1890 -0.051
0.0011 -0.0006 -0.0031
0.0134
0.0063 -0.000
0.0007 -0.0034
0.0277 -0.0094
0.003
0.0012 -0.0129 -0.0361
0.023
-0.0565 -0.0028 -0.1467

0.1891
0.0036
-0.0020 -0.0009
0.000
0.0010 -0.0038 -0.0038
0.0021
0.0067
-0.0807 -0.0043
0.0101 -0.0073
0.0086 -0.0002 -0.0051 -0.002
-0.0002 -0.0175
0.0259 -0.0005 -0.0028 -0.0072 -0.0179 -0.000
9
8
2
5
2
9
3
1
7
5
1
5
3
8
4
7
8
1
9
9
4
2
7
2
8
9
8
8
0
8
-0.0079
0.0706
-0.0037
0.0160
-0.0056
0.0033
0.0023
-0.0107
0.0003
-0.0017
0.0040
0.0007
-0.0014
-0.0030
-0.0217
-0.0080
-0.0141
0.0672
0.0540
-0.0782
-0.0475
-0.0318
0.0420
-0.3826
0.0039
0.0255
-0.0151
-0.0062
0.0026
0.0016
0.0080
0.0161
-0.0044
-0.1097
0.0158
-0.0083
0.0031
-0.0191
0.0000
0.0033
-0.0026
-0.0042
-0.0009
0.0014
0.0071
0.0007
-0.0019
0.0230
-0.0042
0.0618
0.0358
-0.0199
0.0297
0.0037
0.0004
-0.0216
-0.1829
-0.0118
0.0004
0.0068
-0.0075 -0.0013 -0.0054
0.0052 -0.0080
0.0348 -0.0188 -0.002
-0.0077
0.0148
0.0198
0.0517 -0.0365 -0.0953 -0.0472 -0.003
0.0496
0.0026
0.0097
0.0096 -0.0377 -0.0011
0.0041 -0.004
-0.0003 -0.0002
0.0004
0.0042 -0.0032
0.0013
-0.0016 -0.0015
0.0023
0.0090 -0.0032 -0.0079
0.0042
0.0033 -0.001
-0.0054 -0.0093 -0.0053 -0.0161 -0.0053 -0.0150 -0.0236

-0.0064
0.0105
0.0280 -0.0016
0.0034
0.0169 -0.0055
0.001
0.003
0.0063 -0.0033 -0.003
0.0303 -0.0042 -0.0103
0.0001
-0.0043 -0.0016
0.0077 -0.0179
0.0087
0.0160 -0.0182
0.0206 -0.0943
0.0068 -0.0025
0.0205
0.0134
0.1474 -0.072
0.0022
0.0399
0.0543 -0.000
0.1336 -0.0110 -0.0035
0.0045
0.0024 -0.001
0.040
-0.0248 -0.0026
0.0017
0.0072 -0.3517 -0.0121 -0.0803 -0.106
-0.0075 -0.0079
0.0002
0.0066
0.0277
0.0108
0.0122
0.017
0.0003
0.0110
0.0082
0.0076
0.0031
0.0026
0.007
0.0101 -0.0005
0.0136
0.0102
0.0642 -0.0860 -0.0095
0.000
0.0028
0.0100
0.0009 -0.0025
0.0183
0.0173
0.0340
0.034
0.0432
0.0005 -0.0345 -0.0073 -0.0026 -0.0250
0.0064
0.010
0.0048 -0.0003
0.040
0.0224
-0.0070 -0.0069 -0.0050
0.0088
0.0195
0.0010
0.0002 -0.0018
0.0086 -0.0030 -0.0042
0.0051
0.0039 -0.0156
0.0207 -0.0122 -0.0307 -0.0248
0.031
0.0029 -0.0097 -0.0038
0.0082 -0.0135 -0.0212 -0.0200
0.000
0.0015 -0.0010 -0.0318 -0.0402

-0.0006
0.0185 -0.0207 -0.0083
-0.0039
0.0043
0.0018
0.0298 -0.0030 -0.0015
-0.0030 -0.0029 -0.0011 -0.0012
0.0004
0.0040 -0.002
0.0019 -0.0576
0.0013 -0.0193 -0.0083
0.0064 -0.0054 -0.0088
0.0356 -0.0054
0.0014 -0.0032
0.0160 -0.0101
0.0046
0.154
0.0000 -0.0389 -0.0091 -0.017
0.0069 -0.0041
-0.0053
0.0025 -0.0003 -0.002
0.0066 -0.0014 -0.0012 -0.001
0.0013 -0.0045 -0.0016
-0.0110 -0.0015 -0.0042

-0.6809
0.0050
0.0061 -0.000
0.000
0.0180 -0.0003
0.012
0.0019 -0.0065 -0.0080
0.007
0.0007 -0.0060
0.0073 -0.0027 -0.000
-0.0059
1 -0.0018
0.0010
4 -0.0057
-0.0095
3 0.0020
-0.0040
1 -0.0138
0.0004
9 -0.0092
-0.0002
7 0.0000
-0.0023
3 -0.0012
-0.0349
3 -0.0199
-0.0225
4 0.0563
0.0012
2 -0.0359
0.1308
7 -0.0324
0.0426
1 -0.5157
0.0127
2 0.0075
-0.0097
6 -0.0082
0.0041
9 0.0160
-0.0081
6 0.0686
0.0048
0 0.1428
-0.1302
8 -0.0185
0.0080
5 0.0345
0.0018
1 -0.0035
-0.0013
1 0.0028
0.0042
5 -0.0044
-0.0139
2 0.0235
0.0041
4 0.0003
-0.0030
3 0.0401
0.1769
3 -0.0221
-0.0073
8 0.0022
-0.0028
7 -0.0201
0.1599
1 0.0079
0.0042
4 0.0129
-0.0020 -0.0056
0.0068 -0.0251 -0.0022
0.0033
-0.0039 -0.0035
0.0017 -0.0039
0.0209
0.1676 -0.0180 -0.000
0.0090 -0.0103
0.0231
0.0018
0.0108
0.0098
0.0048 -0.007
0.0009
0.0006
-0.0020 -0.0005
0.0008
0.0038 -0.0026
-0.0004 -0.0016
0.0062
0.0054 -0.0007 -0.0094
0.1038 -0.014
0.001
0.0036
0.005
0.0219 -0.0056 -0.0358
0.004
-0.0049
0.0058 -0.0008 -0.0203
-0.0110
0.0404 -0.0035
-0.0014
0.0073
0.0318 -0.0214 -0.0165 -0.0041
-0.0405
0.0318
0.0349 -0.0397
0.0230 -0.0122 -0.0141 -0.0025 -0.003

0.0055 -0.002
0.0145
0.0058 -0.0181
0.006
0.0402 -0.0922 -0.0134
0.0150
0.0082
0.0018
0.0998
0.040
0.1484 -0.0204 -0.0044
0.0068
0.0011
0.0397
0.0472
0.005
0.0433 -0.0472
0.022
0.0062
0.0277 -0.0080 -0.0014
0.019
-0.0293 -0.0083 -0.0007

0.0207 -0.0484 -0.0031
0.0060 -0.4068
-0.0040 -0.0010
0.0153
0.0252
0.0186
0.0076 -0.0039
0.000
0.0043 -0.0010
0.0280
0.0218
0.1019 -0.0801 -0.0476
0.003
0.0140
0.0020 -0.0232
0.0231
0.0204
0.0413
0.106
0.0020
0.0081
0.0061
0.0015 -0.019
0.0118
0.0237
0.0097 -0.0123
0.0005 -0.0004 -0.0016
0.0040
0.0025 -0.0009 -0.005
-0.0285
0.0166
0.0073 -0.0182
-0.0789 -0.0103
-0.0014
0.0024
-0.0050 -0.0020 -0.0065 -0.0129 -0.0137
0.0280
0.0142 -0.007
0.0109
0.0166
0.0012
0.0118 -0.0005 -0.0031
0.0061
0.0030
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1
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1
2
5
5
1
6
7
7
9
1
6
3
6
6
6
7
4
4
3
4
2
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5
7
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6
5
5
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0.011
7
4
2
1
2
3
6
2
6
5
4
3
5
7
4
6
1
1
8
0
9
1
4
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1
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0
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0
3
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1
1
0
9
3
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0
7
6
6
4
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1
3
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4
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1
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2
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3
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1
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1
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1
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2
3
1
5
7
2
8
8
6
6
2
6
6
4
4
4
6
6
9
2
4
7
0
1
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1
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0.1513
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6
3
7
9
0
3
2
5
3
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3
3
6
2
8
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9
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4
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6
6
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1
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1
7
1
7
7
1
3
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9
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1
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8
8
2
7
2
7
3
6
3
7
9
5
5
1
5
7
4
4
0
2
6
1
5
9
3
6
1
3
5
4
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1
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1
7
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1
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1
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1
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4
2
1
7
7
8
1
2
6
4
1
9
4
0
8
8
1
6
1
6
3
6
1
1
1
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0
0
5
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3
2
4
5
5
5
1
0
0
0
8
0
1
5
1
4
1
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1
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2
4
0
5
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3
2
0
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-0.0003
7 0.0079
0.0013
7 0.0020
0.0111
4 -0.0012
-0.0031
1 0.0031
0.0069
7 0.0006
-0.0026 -0.0014
0.0010 -0.0012 -0.0003 -0.0016 -0.0015 -0.000
-0.0003
0.0002 -0.0001 -0.0018 -0.0016
0.0006
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0.0007
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0.0005
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-0.0008 -0.0003
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0.0003 -0.0065 -0.008
0.0000 -0.0008 -0.0026 -0.0008

0.0003
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0.0002
-0.0007
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0.0001 -0.0009 -0.0007
0.003
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0.0107 -0.022
0.0165
0.0030 -0.0044
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0.0004
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0.0007
0.0044 -0.0047 -0.0006 -0.0040 -0.0006

0.0093 -0.0037
0.0001 -0.0015 -0.001
0.0061
0.0014
0.0018 -0.0005 -0.0010 -0.000
0.0002 -0.0182
0.0472
0.0780
0.0366
0.0005 -0.0252
0.0160 -0.002
0.0007 -0.0003 -0.0004 -0.0010 -0.0017 -0.0026
0.0239 -0.012
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0.0041
0.0071
0.001
0.0063 -0.0045 -0.0014
0.0012
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-0.0150
-0.0098 -0.0252
-0.0029
0.0267
0.0002 -0.0025
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0.0000
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0.0125 -0.0259 -0.005
0.0010 -0.0017
0.0003 -0.0013 -0.0009 -0.0010
0.0010 -0.0175 -0.001
0.0000 -0.0091 -0.0080 -0.0062 -0.0025 -0.0265 -0.0019

-0.0082 -0.0090
0.0098 -0.0024 -0.0128
0.0022 -0.0020 -0.0021 -0.0009 -0.0026

-0.0005 -0.0067
0.0001 -0.0004 -0.001

0.0000 -0.0010
0.0079 -0.0071 -0.0001 -0.0045
0.0134
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0.0039
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0.006
0.0081 -0.0171
0.0124
0.0073
0.001
0.0056
0.0266
0.0033
0.001
0.0060
4
0
2
7
4
1
6
6
1
4
4
7
0
9
1
1
5
2
4
8
2
1
6
6
0
0
3
7
6
7
-0.0041
0.0032
0.0035
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-0.0135
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0.0206
0.0211
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0.0037
-0.0046
-0.0163
0.0048
-0.0757
0.0253
0.0103
-0.0134
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0.0000
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0.0007
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-0.0171
-0.0170
-0.0183
0.0226
-0.0055
-0.0064
-0.0099
0.0024
0.0184
0.0004
0.0414
-0.0124
0.0183
-0.0572
0.0097
0.0173
0.0138
0.0081
0.0095
0.0027
0.0176
0.0034
0.0001
0.0037
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0.0016
0.0033
0.0069
0.0032
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0.0066
0.0050
-0.0071
0.0067
0.0014
0.0101 -0.0008
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0.005
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0.003
-0.0040
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0.0013
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0.0082 -0.0200
0.0103
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0.0044 -0.0063 -0.0012
0.0926 -0.0405
0.0348
0.0598
0.112
0.001
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0.0031 -0.0024 -0.0078
0.0031 -0.0025 -0.0030
0.0018
0.0129
0.0045
0.0067
0.0054
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0.0004
0.0622 -0.0053
0.0527
0.0369 -0.0160 -0.0152 -0.0056
0.0381
0.0209
0.0424
0.0219
0.0276
0.016
0.0292 -0.005
0.000
0.0069 -0.012
0.0034 -0.0006 -0.0041 -0.021
-0.0119 -0.0049 -0.1133 -0.0247 -0.0175
0.0222
1.2589
0.021
-0.0057 -0.0001
0.0090
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0.0078 -0.0071
0.0010
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-0.0030 -0.0018
0.0047 -0.0078 -0.0003 -0.0018
0.0018 -0.0341 -0.0043 -0.0011 -0.0013 -0.001
-0.0067 -0.0059 -0.0538 -0.0040

-0.0030 -0.0395
0.000
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0.0000
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-0.0177
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0.0125 -0.0232
0.0054
0.0144
0.022
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0.0089 -0.0039
0.0108 -0.0042 -0.0070
0.011
0.0138 -0.0305
0.0373
0.0020
0.0107
0.0158
0.0157
0.0827
0.0091
0.0011 -0.0003 -0.0115 -0.005
0.0149
0.0055 -0.0065 -0.0026 -0.0024
0.0113
0.0074
0.0103 -0.004
0.0073 -0.015
0.0228 -0.0021
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0.0054 -0.0034 -0.0051
0.003
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0.0080 -0.0036 -0.0148 -0.008
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0.0193 -0.0004
0.0986
0.015
0.0180 -0.0366 -0.0099
0.0145
0.1169
0.0283 -0.0036
0.002
0.0050
0.0127
0.0006
0.002
-0.0170
0.0097 -0.0010
0.0034
9
9
2
1
0
4
3
2
3
6
0
5
4
1
3
6
3
1
1
2
4
2
9
2
2
9
2
4
0
4
-0.0014
0.0084
0.0017
0.0376
-0.0709
0.0098
0.0120
-0.0150
-0.0841
0.0000
0.0002
0.0014
0.0005
0.0018
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0.0006
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0.0001
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0.0043
0.0004
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0.0000
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0.0016
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0.0035
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0.0006
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0.0294
-0.0366
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0.0152
0.0012
0.0108
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0.0003
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-0.0005
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0.0041
0.0103
0.0002
0.0292 -0.0130
0.0086 -0.0081
0.014
-0.0023 -0.0078
0.1677 -0.0275 -0.0023 -0.0439
0.0992
0.171
-0.0150
0.0651
0.0024 -0.0212 -0.0055
0.0285
0.0853
0.078
0.0205
0.0000
0.0022 -0.0052 -0.0276
0.0059 -0.0257 -0.029
0.1064 -0.0286 -0.0488
0.4224
0.9688
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0.000
0.0020
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0.0003 -0.0006 -0.000
-0.0007 -0.0018
0.0007
0.0000
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-0.0009
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0.0000
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0.0002
0.0001 -0.0001 -0.0008
0.0003 -0.0004
0.0005
0.001
-0.0001 -0.0006
0.0041
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0.001
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0.0011
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0.000
-0.0002 -0.0004
0.0007
0.0004
0.0011 -0.0011 -0.0023
0.002
-0.0023
0.0107 -0.0046 -0.0013 -0.0001

0.0005
0.0001 -0.0009 -0.000
0.0028 -0.0010
0.0005
0.0010
0.0003 -0.0008 -0.000
0.0004 -0.0001
0.0002 -0.0006 -0.0001
0.0007 -0.0006 -0.001
0.0005
0.0002
0.0008 -0.0028 -0.0005
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0.0000
0.0005 -0.0006 -0.0024 -0.0077 -0.0004
0.002
0.0053 -0.000
-0.0007 -0.0006
0.0002
0.0000 -0.0002 -0.0035
-0.0009
0.0008
0.0032
0.0001 -0.0123
0.0092 -0.0116
0.005
0.0152
0.0364
0.0575
0.0087 -0.0020
0.0000
0.0029
0.001
0.0028 -0.0046
0.0014
0.0010 -0.0005
0.0020 -0.0017
0.005
0.0023
0.004
0.0067
0.0057 -0.0011 -0.0007 -0.0029
-0.0159 -0.0053
0.0065 -0.0153
0.0062
0.0013 -0.0004
0.0457
0.0183
0.0563 -0.0342 -0.1082 -0.019
0.0009 -0.0022 -0.0159

-0.0299
0.0000 -0.000
0.0387 -0.0252
0.0048
0.0399 -0.0067 -0.030
0.0040 -0.0094 -0.0039 -0.0026 -0.102

0.9947 -0.0050
0.0016
0.0002
0.001
0.0010
0.0002
0.0017
0.001
0.0004 -0.0004
0.0004
0.000
-0.0067 -0.0025
0.0005
-0.0024 -0.0039
0.0012 -0.0008
0.0019
2
1
2
3
0
8
8
3
3
6
1
1
3
7
6
9
6
8
3
0
3
6
3
1
4
4
2
5
4
1
0.0019
0.0001
-0.0003
0.0022
0.0139
0.0120
-0.0010
-0.0005
0.0022
-0.0008
0.0024
0.0000
-0.0023
0.0109
-0.0143
-0.0041
-0.0294
-0.0016
0.0017
-0.0004
-0.0039
-0.0013
-0.0038
-0.0009
-0.0009
0.0045
0.0009
-0.0128
0.0885
-0.0026
-0.0052
0.0002
0.0035
0.0158
-0.0530
-0.0413
0.0002
0.0047
-0.0017
0.0654
0.0021
-0.0017
-0.0015
0.0009
0.0035
0.0009
0.0022
0.0006
-0.0007
0.0011
0.0161
0.0003
0.0000
0.0021
0.0001
0.0010
0.0035
0.0000
-0.0021
0.0092
-0.0028
0.0026
0.0000
0.0005
0.0000 -0.0001 -0.0002
0.0083
0.0011
0.0006
0.0002
0.0003
0.0024
0.0010 -0.0019 -0.0001 -0.0014
0.0037
0.0046 -0.0063
0.0003
-0.0007
0.0016
0.0003 -0.0004 -0.0008 -0.0023

0.0014
0.000
0.0021 -0.002
0.0042
0.005
0.0060 -0.0031 -0.0037 -0.0020 -0.0050
0.0003
0.000
0.0015
0.0011 -0.0040 -0.0122
0.0013 -0.0012 -0.0042 -0.0023

-0.0027
0.0050 -0.000
0.0004 -0.0010
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0.0015 -0.0060
0.0017
0.001
0.0001
0.0169 -0.002
0.0034
0.0016 -0.0083 -0.0060 -0.005
0.0004
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0.0043 -0.0036 -0.0042 -0.005
0.0011
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0.0012 -0.0068
0.0046 -0.003
0.0016 -0.0007 -0.0012 -0.0038

0.0043 -0.0055 -0.0009
0.001
-0.0028
0.0015 -0.0003 -0.0009 -0.0055 -0.0007 -0.0019
0.001
-0.0104
0.0045
0.114
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0.0007 -0.0049
0.002
0.0002 -0.0553 -0.0007 -0.0272 -0.0023
0.0568 -0.0117
0.0003 -0.0028
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0.005
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0.0065
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0.0033 -0.0107 -0.0079 -0.0027
0.009
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0.0049 -0.0050
0.0129
0.0079
0.0239
0.003
0.0152
0.0158 -0.0562 -0.0538 -0.0177 -0.0320 -0.0010
0.003
-0.0004
0.4116
0.0005
0.0165 -0.0678 -0.0549
0.0308
0.0107
0.0097
0.0143 -0.0016
0.2014 -0.2020
1.3417
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0.0007 -0.0004
0.0012 -0.0086
0.0033
0.0002
0.0008 -0.004
0.0013 -0.0007
0.0009
0.0015 -0.005
0.0003 -0.0011
-0.0014 -0.0014 -0.0019

0.0002
0.0013
0.0001
0.0002
0.0105
0.0005
0.0002
0.0006 -0.0012
0.0008 -0.0013
0.0003 -0.0008
0.0002
0.0015
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0.0000 -0.0005
0.0056
0.0062 -0.026
0.000
0.0007
0.000
0.0051
0.006
0.0051 -0.0041
0.001
0.0045
0.0001 -0.0003 -0.0002
0.0000
0.002
0.0044 -0.0065
0.001
-0.0017 -0.0027 -0.0024 -0.0085 -0.0091 -0.0010 -0.0007
0.000
0.0012 -0.0054 -0.0083 -0.0015 -0.0027
0.0020 -0.0044 -0.0001
0.0013 -0.0020 -0.0031
0.0028 -0.005
5
3
0
2
6
0
2
2
0
2
7
3
0
2
9
5
9
0
1
3
7
4
8
9
7
4
8
2
5
0
0.0040
0.0039
-0.0004
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0.0016
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-0.0085
0.0011
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0.0011
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0.0064
0.0425
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-0.0053
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0.0041
-0.0015
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-0.0497
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-0.0026
0.0870
0.0494
0.0080
-0.0072
0.0018
-0.0003
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0.0015
-0.0026
0.0346
-0.0190
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-0.0148
0.0005
0.0013
0.0010
0.0028
0.1165
-0.0191
-0.0107
-0.0477
-0.0047
0.0016
-0.0002
0.0098
-0.0006
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-0.0027
-0.0062
-0.0039
0.0344
0.0010 -0.0071 -0.0006 -0.0022 -0.0013 -0.0045

-0.0010 -0.0020 -0.0008
0.0007
0.0010 -0.0007 -0.0018 -0.0013
0.0012
0.0005 -0.001
0.0039 -0.0011 -0.002
0.0032 -0.0035
0.0010 -0.004
-0.0006 -0.0032
0.0042
0.0010 -0.0018 -0.0020 -0.0016 -0.001
0.0011 -0.0006
0.0042
0.0125
-0.0004 -0.0003
0.0001 -0.0008
0.0055 -0.0074 -0.0007 -0.000

0.0006
-0.0033 -0.0096 -0.0001 -0.0161 -0.0118

-0.0373 -0.1082 -0.0297
0.0003
0.0003
0.001
0.0107 -0.0046 -0.016
0.0020 -0.0014 -0.0016
0.0040
0.008
0.0050 -0.0093 -0.0016 -0.0015 -0.0012 -0.0016 -0.0038 -0.005

-0.0298
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0.0039 -0.0008 -0.0052
-0.0039
0.0045
0.0275
-0.0095
0.0043 -0.0176
0.0613 -0.0413 -0.0513
0.0290 -0.023
0.0028
0.0197 -0.0075
0.0173
0.0111
0.0059
0.1214
0.007
-0.2383 -0.1307 -0.4286
0.3550
1.4251
0.0133 -0.0030
0.000
0.0027
0.0093 -0.0113 -0.0047 -0.0003
0.0002 -0.001
0.0106 -0.0095 -0.0450 -0.001
0.0868 -0.0920
0.0054 -0.015
-0.0494 -0.0150 -0.0253 -0.0040 -0.0002
0.0034 -0.0037 -0.004
-0.0073 -0.0022
0.0038
0.0005
0.0004
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0.0004
0.0040
0.0013
0.0035 -0.0011 -0.004
0.0007
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0.0162
0.0016 -0.0014
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-0.0021
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0.0069
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0.0098 -0.0068
0.065
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0.0074 -0.0109
0.0023
0.0003 -0.0178 -0.0101
0.003
-0.0023 -0.0003 -0.0003
0.0027
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0.023
-0.0974
0.0331 -0.2868 -0.0092 -0.0154 -0.0019 -0.0296 -0.036
-0.0079 -0.0057
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-0.0113
0.0012
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0.0049 -0.0091 -0.0006 -0.020

0.0003
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0.0054 -0.0013 -0.0030 -0.0007
0.0024 -0.0035 -0.010
0.0067 -0.0160
0.0003 -0.0021 -0.0060
0.0064 -0.000
-0.0027 -0.0082
0.0061 -0.0044 -0.0009
0.0102
0.0009
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0.0025
0.0464
0.0396 -0.020
0.0046
0.0030
0.0588
0.008
-0.0137
3 -0.0290
-0.0117
4 0.0024
0.0046
6 -0.0824
-0.0314
3 -0.0567
0.2654
8 0.0211
-0.0010
1 0.0588
-0.0113
6 0.0024
0.0000
1 0.0032
-0.0067
4 0.0000
-0.0007
3 0.0004
-0.0002
6 0.0033
0.0026
9 0.0047
-0.0051
0 0.0009
-0.0009
5 0.0014
0.0083
3 -0.0038
0.0004
6 -0.0056
0.0050
8 -0.0072
0.0052
3 -0.0011
-0.0086
6 -0.0038
-0.0015
9 -0.0026
-0.0005
9 -0.0014
-0.0010
9 -0.0003
-0.0023
1 -0.0126
0.0066
0 0.0026
-0.0276
4 -0.0008
0.0012
3 -0.0216
0.0125
5 -0.0505
-0.0289
3 -0.0378
-0.0293
5 0.0001
-0.0900
1 -0.0010
-0.0114
0.0091
0.0322
0.0799 -0.0326
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1
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5
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2
8
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2
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4
5
7
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1
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1
1
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7
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3
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3
1
4
7
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3
7
6
8
5
2
4
1
5
5
2
4
5
8
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2
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0
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8
2
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0
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1
2
3
7
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3
0
5
0
2
6
1
3
6
9
8
9
7
9
4
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1
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1
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1
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2
6
7
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2
2
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8
7
2
8
1
1
9
9
3
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1
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1
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1
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1
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1
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0.0017 -0.0060
0.006
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1.8773 -0.0058 -0.0001
0.000
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0.0071
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0.0003
0.0000 -0.0015 -0.0023
0.0013
0.0037
0.0015 -0.003
0.0093
0.0242
0.0746 -0.0159 -0.0345 -0.0176
0.0347
0.005
4
1
7
5
1
0
3
1
2
6
1
7
7
9
4
2
3
5
2
0
4
4
8
9
9
6
5
4
8
4
0.0003
0.0042
0.0000
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0.0014 -0.0012 -0.0007 -0.0016 -0.0172 -0.0007 -0.0031

0.0318
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0.1233
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-0.0010
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0.0055 -0.0038 -0.0012 -0.0020
0.012
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0.0040
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0.0386 -0.0126 -0.0027 -0.0135
0.0145
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0.0013
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0.0102
0.0118 -0.0146 -0.0308
0.0204 -0.0278 -0.002
-0.0014
1.8303
0.0004 -0.0011 -0.0004 -0.0018
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0.1414
0.0108 -0.0228 -0.0343 -0.0300
0.1197
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0.0029 -0.0053 -0.0063 -0.0302 -0.0235 -0.003
0.0000 -0.0002 -0.0003
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-0.0006 -0.0015 -0.0023

-0.0033
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0.0072 -0.0002 -0.0038 -0.0093 -0.0004
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0.001
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-0.0364 -0.0049 -0.0164
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0.0413 -0.0064 -0.0031 -0.0036 -0.003
0.0015
7 -0.0001
0.0073
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-0.0066
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4 -0.0024
0.0009
5 -0.0046
0.0085
3 0.0335
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1 -0.0076
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1 0.0011
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6 -0.0055
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0.0128
6 0.0134
0.0345
8 0.1041
0.2343
0 -0.0071
0.0032
8 -0.0154
-0.0027
5 0.0056
0.0600
0 0.0098
0.0294
3 0.0024
-0.0136
8 0.0944
1.6212
8 0.0001
0.0739
3 -0.0086
0.0007
5 0.0012
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4 -0.0007
0.0000
5 -0.0003
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0.0019
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0.0391 -0.150
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0.0285 -0.0619 -0.0279
-0.0008 -0.0011 -0.0006
0.0092
-0.0097
0.0059 -0.0503
0.0300
0.0127
-0.0119 -0.0113 -0.0182
0.0091
0.0118 -0.0002
0.004
0.065
0.0241 -0.0125
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-0.0226
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0.0503 -0.0125 -0.0312 -0.0096
0.0009 -0.004
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0.0608
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-0.0008 -0.0188 -0.0021 -0.2595 -0.1543
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-0.0806
0.3703 -0.0091 -0.0002 -0.0074 -0.0048 -0.0104
0.002
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0.0094
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0.0337
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0.0120
0.0861
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-0.0026
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0.0129
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0.001
-0.0440
0.0354 -0.0353
0.1617
0.2155
0.0817 -0.0828 -0.101
-0.0083
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0.0008 -0.0010 -0.0017 -0.0010

-0.0011
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0.0035
0.007
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0.0017 -0.0213 -0.0011 -0.0034

0.0015
0.0008
0.0014 -0.0010 -0.005
0.0015 -0.0028 -0.0033
0.0070 -0.0008 -0.0017
0.0365
0.000
0.000
0.0013 -0.0005 -0.0042

0.0190
0.0060
0.0040 -0.0032 -0.0021 -0.0046 -0.0006
0.0024 -0.0080
-0.0016 -0.0010
0.0004
0.0072
0.0008
0.002
0.0008 -0.0244 -0.0270 -0.0301
0.027
0.0019 -0.0100
0.0008
0.0007
0.0011
0.0018 -0.007
0.0047
0.0024 -0.000
4
9
7
0
2
8
7
2
2
4
2
8
3
7
1
2
5
4
6
4
5
2
1
9
4
3
1
3
9
2
-0.0010
0.0005
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0.0023
0.0020
0.0008
-0.0009
-0.0103
0.0047
0.0004
-0.0038
-0.1695
-0.0324
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0.0030
0.0183
0.0091
-0.0055
0.0117
-0.0138
0.0029
0.0086
0.0061
0.0158
0.0743
-0.1773
0.0062
0.0115
-0.0052
-0.0093
-0.0108
-0.0170
-0.0045
0.0070
0.0373
0.0458
1.7397
-0.0181
0.1753
-0.0629
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0.0074
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-0.0180
0.0142
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0.0246
0.0132
-0.0027
0.0096
-0.0291
-0.0080
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0.0011
0.0059 -0.0088 -0.0031

0.0006
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0.0010 -0.0070 -0.0082
0.0023 -0.0003 -0.0001
0.0020
0.001
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0.002
0.0135 -0.0001
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-0.0005 -0.0052 -0.0003 -0.0013
0.0010
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0.003
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0.000
0.005
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0.0007 -0.0102
0.0035
-0.0358 -0.0390
0.0810 -0.0756
0.0431 -0.1678 -0.1578 -0.003
0.0097 -0.0136
0.0010
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-0.0142
0.0164
0.0039 -0.0501
0.0107 -0.0149 -0.0196

-0.0200 -0.0173
0.0074
0.0059 -0.0012 -0.0317 -0.0047

0.0033
0.0014 -0.0107 -0.004
0.0181 -0.0337
0.0167 -0.0288
0.0011 -0.0076
0.0092 -0.0061
0.0011
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0.007
0.0054 -0.0034 -0.000

0.0004
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0.006
0.0000 -0.0020 -0.0026 -0.013
0.1752
0.1646
0.0323 -0.0554
0.0032 -0.0041
0.0109
0.0087 -0.0021 -0.0016
0.0037
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0.0084
0.0003
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-0.0219 -0.0074 -0.0061
0.0046
0.2468 -0.1359 -0.096
0.0097
0.0391 -0.0333 -0.0273 -0.0522
0.018
0.0238
0.0201 -0.0025 -0.0776 -0.0583
0.0016
0.0001
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-0.0011
0.0440
0.0052
0.0104 -0.0009 -0.0084 -0.0417
0.093
-0.0022
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0.0066
0.0055
0.001
-0.0278 -0.0006
0.1009
0.1559 -0.1433
0.1005
0.1992
0.002
0.0036 -0.0037 -0.0018 -0.0095
0.000
-0.0042 -0.0074 -0.0010

0.0019
0.0051 -0.0037
0.0122 -0.0013
0.002
0.0004 -0.0017 -0.0301 -0.0007 -0.003
-0.0122 -0.0080 -0.0051 -0.0052 -0.0538 -0.0008

-0.0161
0.0147 -0.0012
0.004
0.0064 -0.0017
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0.000
0.0030 -0.0105 -0.008
-0.0035 -0.0061 -0.0031 -0.0004 -0.0038
0.0001 -0.0038
0.000
-0.0002
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0.019
0.0071 -0.0051 -0.0033 -0.0179
0.0000 -0.0005 -0.0008
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0.0062 -0.0007
0.0023 -0.002
0.0118 -0.0116
0.0186 -0.0499 -0.0217
0.0540
0.0647
0.014
0.0316 -0.0011
0.0047 -0.0011
0.0021
0.0062
0.002
0.0165
0.0002 0.0007 0.0027

0.0025
-0.0088 0.0106 0.0096
2 -0.0021
0.0024 0.0065 0.0054
0 0.0020
-0.0023 0.0071 0.0012
7 0.0016
-0.0099 -0.0033 -0.0005
8 -0.0085
0.0047 -0.0016 -0.0023
1 -0.0084
-0.0259 0.0437 0.1019
9 -0.0006
0.0008 0.0085 0.0101
8 -0.0454
-0.0118 -0.0359 0.0277
3 0.0107
0.0080 0.0049 -0.0099
4 -0.0103
0.0129 -0.0060 -0.0069
8 -0.0073
-0.0043 0.0011 -0.0188
9 0.0062
0.0018 0.0876 0.0865
3 -0.1383
-0.0009 0.0009 -0.0008
9 0.0010
-0.0017 -0.0056 0.0087
9 -0.0061
0.0115 -0.0127 0.0103
4 -0.0200
0.0295 0.0026 0.0002
2 -0.0096
0.0027 0.0066 0.0018
3 -0.0174
-0.0166 0.0174 0.0088
1 1.8229
BOND_ORDERS[001275]=
2.1857 0.0057 2.0765
0 2.0893
0.0188 0.0081 0.0049
4 0.1861
4.3089 0.0164 0.0751
2 0.0019
0.1358 0.0259 0.1075
0 0.0013
0.0293 0.2190 0.1345
0 0.1093
0.0123 0.2263 0.1989
0 0.0140
0.2772 0.0170 0.0013
7 0.0004
0.0044 0.0114 0.0082
8 0.7126
0.0011 0.0054 0.0076
4 0.0125
1.8489 0.6786 0.0078
7 0.6685
0.0142 -0.0009 -0.0085 -0.0025
0.0115
0.006
0.0031 -0.0006
0.0005
0.006
-0.0044 -0.0049
0.0127
0.0015
0.0089 -0.0079
0.0180 -0.002
0.0008 -0.0005
0.0014
0.0032 -0.0079
0.0017 -0.0036
0.0022
0.0012 -0.0016 -0.003
0.0017 -0.0043
0.0035
0.0017 -0.0133 -0.058
0.0450
0.1480
0.1120 -0.1214
0.0075 -0.000
0.0009
0.0034
0.0003
0.0203
-0.0379
0.0094
0.003
0.020
0.0238 -0.0174 -0.0001
0.0015 -0.000
0.0191 -0.0376 -0.0100 -0.0053
0.0026 -0.015
0.0153 -0.0008
0.0054 -0.0006 -0.0112 -0.010
-0.0027 -0.0008 -0.0008 -0.0103 -0.0167 -0.002

-0.0639
0.0039
0.0780 -0.0186 -0.0366 -0.0860 -0.017

0.0037 -0.0013
0.0059
0.0004 -0.001
-0.0077 -0.0048
0.0132
0.0048 -0.0035 -0.003
0.0275 -0.0083
0.0635
0.0177 -0.0239 -0.007
-0.0262 -0.0006 -0.0040 -0.0167 -0.0235 -0.022

-0.0043
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0.0565 -0.073
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0.0019
2.2239
0.0004
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0.033
0.0036
2.1635
0.0794
0.0293
0.0032
0.004
0.0255
0.0671
0.0980
0.2794
4.3837
0.002
0.0081
0.0104
4.9782
0.0877
0.0729
0.001
0.0031
5.2181
0.0050
0.0035
0.2162
0.183
0.0075
2.0655
0.6362
0.0120
0.0005
0.001
0.7412
0.0015
1.9143
0.0038
0.3848
0.002
0.0111
0.2149
0.0013
0.0229
1.8754
0.004
0.0357
0.5177
0.0017
0.3455
0.0098
0.004
0.0003
0.0002
0.0079
0.0221
0.0097
0.000
9
9
1
4
1
8
9
0
8
5
0
2
0
8
8
3
1
8
4
2
5
1
2
5
1
7
3
1
2
2
0.0008
0.0055
1.6453
2.0887
0.0111
0.0014
0.0414
0.0698
0.1013
0.0006
0.0046
0.0125
0.0004
0.0011
1.7469
0.2418
0.0044
1.6824
0.0003
0.1565
0.0002
2.7446
0.0020
0.0105
0.0005
0.0873
1.9673
0.0031
0.0100
0.0040
0.0009
0.0005
0.9845
0.0004
0.0001
0.9422
0.0021
0.0001
0.0002
1.4879
0.0012
0.0036
0.0007
0.0001
0.0001
0.0301
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0.0001
0.0002
0.0001
2.0384
0.0019
0.0005
0.0015
0.0005
0.0048
0.0070
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0.0011
0.0061
0.0207
0.0078
0.0262
1.8535
0.0070
0.0015
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0.000
0.1890
0.0003
0.0073
0.0033
0.0328
0.0008
0.0036
0.000
0.0538
0.0004
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0.0159
0.0183
0.0009
2.174
0.0093
0.0123
0.0418
0.0014
2.4653
0.0013
0.0051
0.015
0.0164
1.1588
0.0075
0.0049
0.8427
0.0020
0.0005
0.068
0.0017
2.4018
0.1757
0.0014
0.0002
0.0002
0.0298
1.302
0.0163
0.0004
0.0239
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0.0016
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0.1608
0.000
0.0127
0.0069
0.0016
0.0029
0.5152
0.0409
0.4210
0.005
0.0074
0.0076
0.0167
0.0096
0.0009
0.0398
0.0182
0.002
0.0004
0.0766
0.0147
0.0316
0.0013
0.0041
2.2055
0.000
0.0007
0.0005
0.0001
0.0001
0.0001
0.0140
0.0001
0.001
0.0009
0.0128
0.0018
0.3449
0.0060
0.0016
0.8027
0.001
0.0010
0.0004
0.0003
0.0002
0.0002
0.0014
0.0010
0.004
0.0013
0.0722
0.5773
0.0102
0.0043
0.0105
0.3039
0.003
0.0006
0.0033
0.0038
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0.0137
0.0004
0.0089
0.000
0.0005
1.4589
0.0001
0.0001
0.0452
0.0014
0.0111
0.000
0.0002
0.0059
0.0001
0.0011
0.0001
0.0001
0.0000
0.000
0.0003
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START OF MOPAC FILE

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