%chk=000212766.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212766

0 1
S -2.416543 -3.374848 -0.322128
O 4.343595 -0.910409 -0.424968
O -5.656063 -1.719868 0.892040
O 3.750537 1.869476 0.098283
N 0.679838 -1.126350 -0.539564
N -3.536478 -1.061614 0.248272
C -2.169034 -1.544108 -0.082148
C -1.187249 -1.350113 1.076019
C -1.641386 -0.971594 -1.396089
C 0.224248 -1.826793 0.706986
C -0.216101 -1.459382 -1.696024
C 2.105051 -1.456236 -0.851087
C -4.012890 -3.439361 0.515679
C -4.523883 -2.022495 0.585109
C 2.989776 -0.449155 -0.096346
C -3.867305 0.345188 0.148445
C 2.799971 0.994275 -0.570075
C -5.094046 0.729886 -0.426477
C -2.976660 1.323390 0.618623
C 5.334442 0.018077 -0.154072
C -5.412521 2.081606 -0.531754
C -3.303597 2.674998 0.499679
C 5.047581 1.382075 0.084707
C -4.520549 3.067872 -0.075758
C 6.652789 -0.443218 -0.147256
C 6.076045 2.287409 0.354815
C -4.880065 4.512456 -0.195908
C 7.679057 0.471351 0.115297
C 7.393978 1.816960 0.370868
H -1.534150 -1.867952 1.991466
H -1.150428 -0.264808 1.344118
H -1.640483 0.141323 -1.341651
H -2.313452 -1.222593 -2.242039
H 0.924658 -1.561352 1.529833
H 0.247412 -2.935884 0.615367
H -0.219191 -2.543352 -1.946071
H 0.165690 -0.924505 -2.594532
H 2.407995 -2.490778 -0.574736
H 2.304611 -1.373031 -1.942583
H -3.925364 -3.883114 1.527983
H -4.720780 -4.083750 -0.046738
H 2.891320 -0.527474 1.008109
H 2.941100 1.107474 -1.658141
H 1.823812 1.414160 -0.261806
H -5.805380 -0.026537 -0.764488
H -2.028153 1.036174 1.082954
H -6.366344 2.374286 -0.969778
H -2.605489 3.426711 0.865490
H 6.860600 -1.493048 -0.340546
H 5.841122 3.332349 0.545119
H -4.045384 5.180714 0.052110
H -5.203044 4.766557 -1.215231
H -5.709137 4.768229 0.480991
H 8.711577 0.125814 0.123738
H 8.205542 2.511710 0.581196


%chk=000212766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212766

0 1
S -2.389026 -3.557809 0.117898
O 4.374155 -0.928745 -0.507316
O -5.792261 -1.614640 0.906045
O 3.736111 1.924881 -0.361162
N 0.644717 -1.217875 -0.634309
N -3.579012 -1.107891 0.285900
C -2.209783 -1.622556 0.007115
C -1.181253 -1.146967 1.059451
C -1.718110 -1.253780 -1.410895
C 0.237406 -1.648588 0.728387
C -0.283883 -1.761664 -1.657772
C 2.069225 -1.504161 -0.927535
C -4.185165 -3.444254 0.658170
C -4.615490 -1.976900 0.633785
C 2.986480 -0.429149 -0.324437
C -3.842752 0.319670 0.227978
C 2.842897 0.936760 -1.004135
C -4.277889 0.912399 -0.980315
C -3.709724 1.114763 1.387783
C 5.365066 0.053270 -0.264547
C -4.554100 2.293721 -1.027964
C -3.987776 2.497775 1.330614
C 5.052006 1.438993 -0.177166
C -4.411785 3.111194 0.124638
C 6.696987 -0.379054 -0.101961
C 6.068855 2.374131 0.103265
C -4.731841 4.594495 0.066974
C 7.715507 0.561135 0.165656
C 7.399482 1.937367 0.279161
H -1.482721 -1.502527 2.060880
H -1.171714 -0.039916 1.064277
H -1.720086 -0.151159 -1.507574
H -2.405274 -1.677095 -2.164819
H 0.946507 -1.235829 1.467982
H 0.270144 -2.763790 0.825783
H -0.284387 -2.881690 -1.665162
H 0.053741 -1.425301 -2.654997
H 2.400885 -2.499471 -0.547867
H 2.215666 -1.513908 -2.023904
H -4.305737 -3.841694 1.678541
H -4.822036 -4.019269 -0.031950
H 2.806905 -0.309560 0.763274
H 3.100991 0.855857 -2.079468
H 1.820520 1.324275 -0.885370
H -4.413099 0.285883 -1.868472
H -3.408526 0.646617 2.330938
H -4.893605 2.743878 -1.968697
H -3.883157 3.106137 2.236567
H 6.911104 -1.449834 -0.179068
H 5.798430 3.432772 0.169281
H -4.421931 5.112870 0.990211
H -4.225494 5.084377 -0.784835
H -5.818384 4.761105 -0.061253
H 8.747989 0.219330 0.291875
H 8.185423 2.668219 0.495822


