%chk=000284116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284116

0 1
S 3.017018 1.307344 -0.982576
S -5.556916 -1.340288 -0.243560
O 4.684765 -0.763801 0.741399
N -1.556474 -1.473482 -0.169031
N -2.875142 -1.770377 -0.456515
N -3.681191 0.507797 0.054400
C 2.514669 -0.234858 -0.334041
C 3.364441 -1.047941 0.419478
C 0.767355 -1.893105 -0.089296
C 1.206469 -0.654374 -0.584664
C 4.676012 1.412763 -0.447783
C 5.288512 0.417354 0.315823
C 2.934950 -2.281550 0.938536
C 1.631222 -2.695295 0.679356
C -0.615775 -2.357270 -0.369822
C 5.410789 2.548453 -0.802515
C 6.623227 0.523257 0.738562
C -6.078992 0.302158 0.046561
C -4.942292 1.150031 0.179251
C -0.787032 -3.768120 -0.846366
C 6.740951 2.670427 -0.390512
C 7.341890 1.662488 0.375873
C -3.814692 -0.776612 -0.166517
C -7.371835 0.798063 0.145518
C -5.116375 2.520782 0.417882
C -7.532054 2.166569 0.383639
C -6.417717 3.012786 0.517418
H 0.516038 -0.022650 -1.155133
H 3.620308 -2.884561 1.531919
H 1.279097 -3.644851 1.083637
H 4.950097 3.338848 -1.398395
H 7.067725 -0.272108 1.333512
H 0.171366 -4.226828 -1.133981
H -1.229779 -4.410013 -0.072837
H -1.423759 -3.819576 -1.742530
H 7.313028 3.554553 -0.666379
H 8.379823 1.767389 0.692894
H -3.203752 -2.744572 -0.392935
H -8.236935 0.145559 0.042143
H -4.246806 3.169601 0.520124
H -8.534099 2.584399 0.467017
H -6.575535 4.075812 0.702745


%chk=000284116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284116

0 1
S 2.768892 1.470946 0.873574
S -5.583225 -1.375043 -0.341284
O 4.872406 -0.899036 0.474892
N -1.502807 -1.507457 -0.020995
N -2.842563 -1.824592 -0.139863
N -3.610408 0.468168 0.023154
C 2.445207 -0.287630 0.457511
C 3.502665 -1.225049 0.340706
C 0.801722 -2.091896 0.108269
C 1.116504 -0.716938 0.326482
C 4.519271 1.571502 0.331789
C 5.333491 0.420872 0.225252
C 3.214120 -2.582467 0.109056
C 1.877108 -3.015998 0.005224
C -0.620849 -2.501671 -0.010001
C 5.083060 2.841536 0.078953
C 6.696541 0.531738 -0.114865
C -6.011970 0.387942 -0.199718
C -4.826581 1.177921 -0.015222
C -1.032049 -3.962567 -0.110106
C 6.452302 2.962347 -0.249093
C 7.260423 1.805586 -0.342132
C -3.796574 -0.820320 -0.124418
C -7.290475 0.970293 -0.252822
C -4.945931 2.581330 0.116171
C -7.387885 2.376122 -0.119001
C -6.226004 3.170614 0.063375
H 0.288518 -0.005007 0.398168
H 4.049342 -3.282568 0.017156
H 1.692953 -4.078698 -0.175962
H 4.451121 3.733724 0.146294
H 7.290398 -0.384022 -0.189266
H -0.188348 -4.646031 0.052494
H -1.794578 -4.213757 0.655100
H -1.460306 -4.196742 -1.105816
H 6.879903 3.953265 -0.432098
H 8.321691 1.890959 -0.596892
H -3.165229 -2.793523 -0.251107
H -8.189636 0.362827 -0.393435
H -4.040990 3.179501 0.256122
H -8.373840 2.851278 -0.157699
H -6.324793 4.256740 0.164350


