%chk=000217021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217021

0 1
S -0.229522 0.941811 1.292488
O -8.112631 -1.020425 0.459231
O -0.260028 -0.704031 -0.781544
N -4.199155 0.377803 0.574823
N 1.784819 0.298889 -0.355024
C 4.358979 -0.443489 0.687511
C -6.900256 -0.485619 -0.130636
C -6.620573 0.915267 0.433479
C -5.828294 -1.482448 0.329833
C -5.201418 1.373789 0.069415
C -4.427642 -0.974765 -0.034551
C 3.778592 0.948966 0.933321
C 3.866824 -0.976282 -0.658915
C -2.796976 0.850161 0.317499
C 2.520131 1.296227 0.393217
C 2.587366 -0.617378 -1.141040
C 3.846931 -1.385557 1.794650
C 5.897325 -0.392544 0.715745
C -1.909687 0.251621 1.408091
C 4.452644 1.911012 1.694472
C 4.628204 -1.862536 -1.428902
C 0.426412 0.040839 -0.127348
C 2.006844 2.597145 0.513506
C 2.089184 -1.122611 -2.350594
C 3.920263 3.191139 1.873403
C 4.143080 -2.369217 -2.638806
C 2.709097 3.538370 1.269465
C 2.876104 -2.000950 -3.097863
C -9.332256 -0.514876 -0.107074
H -7.005993 -0.469282 -1.234714
H -7.361999 1.645169 0.067549
H -6.736974 0.883670 1.537470
H -5.914553 -1.621576 1.428541
H -6.010937 -2.477307 -0.114569
H -4.993067 2.346971 0.566305
H -5.125833 1.542808 -1.026484
H -3.663494 -1.669543 0.379727
H -4.294388 -0.977382 -1.138449
H -2.415968 0.562516 -0.689901
H -2.763222 1.960967 0.365174
H 4.216064 -2.406629 1.652007
H 2.751020 -1.432967 1.805189
H 4.166806 -1.047345 2.785803
H 6.336588 -1.384188 0.555181
H 6.286037 0.275159 -0.062391
H 6.272495 -0.035105 1.681705
H -1.878274 -0.854276 1.343155
H -2.288991 0.503128 2.420996
H 5.408816 1.663123 2.158159
H 5.614681 -2.173769 -1.081811
H 1.083390 2.888698 0.011382
H 1.088994 -0.846626 -2.692070
H 4.457058 3.921201 2.476523
H 4.754536 -3.056253 -3.220752
H 2.309537 4.545341 1.383195
H 2.496149 -2.399192 -4.037831
H -10.100955 -1.076299 0.438862
H -9.431787 0.556987 0.084329
H -9.382997 -0.733210 -1.177531


%chk=000217021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217021

0 1
S -0.200854 1.019636 1.589725
O -8.061288 -1.366270 0.054103
O -0.284754 -0.784548 -0.484219
N -4.235247 0.405988 0.667827
N 1.788267 0.287011 -0.212735
C 4.314588 -0.486127 0.757068
C -6.851581 -0.576490 -0.232933
C -6.711391 0.666637 0.674446
C -5.657984 -1.520741 -0.025678
C -5.349938 1.354672 0.435422
C -4.327856 -0.770101 -0.235339
C 3.894996 0.996033 0.828820
C 3.822265 -1.023437 -0.605382
C -2.896414 1.039953 0.658784
C 2.593541 1.339684 0.370617
C 2.519142 -0.655297 -1.044002
C 3.580680 -1.271245 1.900874
C 5.836589 -0.673258 0.946944
C -1.943864 0.281777 1.602262
C 4.721797 2.033814 1.316966
C 4.577581 -1.889288 -1.429315
C 0.442775 0.054130 0.104609
C 2.147162 2.680536 0.365052
C 1.979782 -1.146981 -2.252488
C 4.268726 3.371549 1.358319
C 4.048297 -2.393457 -2.638723
C 2.979817 3.695770 0.879370
C 2.746815 -2.026390 -3.046161
C -9.305176 -0.703659 -0.330960
H -6.880961 -0.243376 -1.299754
H -7.524026 1.394132 0.485552
H -6.774203 0.340267 1.729373
H -5.701146 -1.921548 1.003499
H -5.731572 -2.371635 -0.727253
H -5.237879 2.207391 1.130244
H -5.326055 1.771236 -0.607588
H -3.478522 -1.446363 -0.036849
H -4.242423 -0.451536 -1.308116
H -2.450845 1.074771 -0.363757
H -2.995625 2.084088 1.009364
H 3.820252 -2.347686 1.832470
H 2.485631 -1.156382 1.842474
H 3.911408 -0.895424 2.886081
H 6.102460 -1.744471 0.921496
H 6.419301 -0.149516 0.167941
H 6.152735 -0.294675 1.934765
H -1.836570 -0.773247 1.306469
H -2.281174 0.345039 2.649148
H 5.732194 1.804159 1.667052
H 5.588122 -2.180920 -1.128663
H 1.161504 2.925131 -0.040376
H 0.974851 -0.851231 -2.558607
H 4.924475 4.157614 1.748195
H 4.649985 -3.067405 -3.258236
H 2.630532 4.733632 0.885448
H 2.330631 -2.412043 -3.983031
H -10.101706 -1.454172 -0.202392
H -9.531765 0.175047 0.307609
H -9.278981 -0.375678 -1.393229


