%chk=000218927.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218927

0 1
S -8.303935 0.316621 -1.688526
O 0.531002 -1.086045 0.171388
N -6.736281 -0.166854 0.438238
N 2.238140 0.508156 -0.024813
C -5.450617 0.577090 0.226568
C -4.284574 -0.424685 0.279946
C -7.841796 0.721460 0.915068
C -2.936810 0.296978 0.163467
C -7.205195 -0.864440 -0.769002
C -8.541869 1.420298 -0.256958
C -1.773286 -0.698857 0.216590
C -0.436286 0.026155 0.105688
C 1.852485 -0.768988 0.099662
C 4.568505 -0.305720 -0.031439
C 4.090039 -1.663226 0.103268
C 3.609107 0.744950 -0.091351
C 2.737187 -1.896588 0.168820
C 5.951764 0.031571 -0.107203
C 6.358125 1.342390 -0.235618
C 4.045160 2.103975 -0.224937
C 5.055971 -2.798201 0.170266
C 5.383137 2.388775 -0.294628
C 7.805082 1.707912 -0.316227
H -5.433059 1.146361 -0.728076
H -5.334475 1.323748 1.042064
H -4.386066 -1.175606 -0.527221
H -4.334924 -1.000641 1.226458
H -7.456655 1.453190 1.654189
H -8.561719 0.071632 1.465469
H -2.834114 1.040157 0.978895
H -2.897102 0.874039 -0.781761
H -7.808115 -1.748147 -0.473864
H -6.387766 -1.199164 -1.433555
H -8.105840 2.408196 -0.481749
H -9.619984 1.564523 -0.075408
H -1.802510 -1.286752 1.156779
H -1.859880 -1.448277 -0.596401
H -0.292232 0.550272 -0.853735
H -0.230277 0.710920 0.945051
H 2.308396 -2.889346 0.269943
H 6.688844 -0.768332 -0.061806
H 3.285381 2.885453 -0.268113
H 4.558905 -3.773155 0.272103
H 5.735450 -2.694360 1.029807
H 5.676391 -2.848874 -0.737384
H 5.726055 3.418214 -0.396289
H 8.468078 0.835206 -0.261421
H 8.032298 2.225847 -1.259119
H 8.091362 2.381470 0.504275


%chk=000218927-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218927

0 1
S -8.190527 0.726299 -1.865124
O 0.569764 -1.292739 0.205792
N -6.843379 -0.141126 0.404988
N 2.221572 0.379430 -0.040386
C -5.501670 0.505015 0.299648
C -4.354078 -0.523783 0.321212
C -7.919519 0.750444 0.897975
C -2.966044 0.144540 0.202173
C -7.323585 -0.739909 -0.815505
C -8.359164 1.716638 -0.256713
C -1.811556 -0.882219 0.255921
C -0.444482 -0.209816 0.121055
C 1.903185 -0.909080 0.118096
C 4.617066 -0.308406 -0.031986
C 4.217633 -1.693431 0.140570
C 3.575551 0.692146 -0.117529
C 2.855937 -1.979473 0.212780
C 5.982969 0.108345 -0.120052
C 6.337454 1.455086 -0.287229
C 3.945492 2.061630 -0.288332
C 5.249229 -2.797976 0.240530
C 5.289738 2.431292 -0.370596
C 7.788627 1.891287 -0.381672
H -5.432610 1.131081 -0.621261
H -5.391860 1.182057 1.167861
H -4.479311 -1.248625 -0.508349
H -4.419122 -1.106488 1.260296
H -7.575378 1.307898 1.785845
H -8.783320 0.125951 1.191450
H -2.841353 0.884592 1.020368
H -2.911660 0.716899 -0.747330
H -8.123078 -1.470922 -0.627806
H -6.521881 -1.166286 -1.432920
H -7.703718 2.600749 -0.318741
H -9.406546 2.036236 -0.138151
H -1.847616 -1.440009 1.211549
H -1.930238 -1.626876 -0.554937
H -0.327831 0.315644 -0.845543
H -0.254715 0.522570 0.928445
H 2.486814 -3.000407 0.341989
H 6.776064 -0.645501 -0.055116
H 3.140846 2.800863 -0.351341
H 4.766162 -3.780683 0.368069
H 5.927758 -2.637114 1.099527
H 5.880012 -2.842857 -0.667302
H 5.556655 3.487388 -0.502031
H 8.477883 1.034523 -0.288724
H 7.996674 2.387838 -1.348625
H 8.042657 2.616587 0.414558


