%chk=000185223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185223

0 1
S 2.214271 1.934825 1.082076
O 3.252508 -0.101219 -0.305888
N 1.023609 -0.187614 -0.069570
C -2.362504 1.657281 -0.054094
C -0.952567 1.253791 -0.531447
C -0.298145 0.267843 0.448006
C -3.295752 0.461989 -0.027550
C -2.935965 2.766903 -0.943664
C 1.055589 -1.461098 -0.846576
C 2.162024 0.505245 0.210975
C 4.592660 0.545195 -0.159391
C -3.844722 0.037087 1.192081
C -3.619219 -0.231502 -1.204061
C 5.515676 -0.668659 -0.311963
C 1.220703 -2.668381 0.071933
C 4.727280 1.561591 -1.275857
C -4.703642 -1.064797 1.232940
C -4.478187 -1.332369 -1.159822
C -5.021898 -1.752856 0.058302
C 5.729647 -1.394028 1.011564
H -2.267869 2.071383 0.984652
H -0.996583 0.821730 -1.547761
H -0.319777 2.163259 -0.618957
H -0.945496 -0.625337 0.601644
H -0.170177 0.744979 1.450529
H -2.326375 3.676193 -0.884793
H -2.982782 2.469988 -1.996826
H -3.954319 3.031780 -0.634591
H 0.116084 -1.539109 -1.437831
H 1.900308 -1.415260 -1.576094
H 4.650124 1.006939 0.851266
H -3.606961 0.567770 2.112354
H -3.203606 0.092541 -2.156037
H 5.080173 -1.366234 -1.059165
H 6.487873 -0.345306 -0.733158
H 1.237318 -3.600868 -0.503969
H 0.407784 -2.745704 0.803874
H 2.161653 -2.613231 0.637267
H 5.724150 2.016950 -1.286830
H 4.003174 2.383348 -1.150121
H 4.543466 1.120041 -2.261836
H -5.126898 -1.386229 2.183196
H -4.726819 -1.863097 -2.077166
H -5.691277 -2.609311 0.090994
H 4.773898 -1.710469 1.449889
H 6.231728 -0.757517 1.750066
H 6.344839 -2.291055 0.878710


%chk=000185223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185223

0 1
S 2.172005 1.965274 1.097937
O 3.323333 -0.095982 -0.339831
N 1.059979 -0.218109 -0.150410
C -2.367531 1.638372 -0.067610
C -0.973134 1.198137 -0.597578
C -0.274163 0.193850 0.345766
C -3.348573 0.465750 0.033900
C -2.941002 2.783483 -0.943735
C 1.124059 -1.452218 -0.978363
C 2.177182 0.509819 0.171713
C 4.655444 0.584383 -0.184192
C -3.898754 0.085091 1.284359
C -3.736997 -0.267051 -1.119848
C 5.692631 -0.548165 -0.134959
C 1.336440 -2.725745 -0.132741
C 4.846343 1.558015 -1.353676
C -4.810384 -0.991822 1.385056
C -4.645759 -1.343972 -1.025675
C -5.187092 -1.712194 0.228975
C 5.557435 -1.454309 1.105890
H -2.217064 2.042684 0.954791
H -1.079772 0.753403 -1.607775
H -0.326233 2.090249 -0.694250
H -0.887968 -0.718841 0.457911
H -0.145016 0.654750 1.341389
H -2.250073 3.646493 -0.954342
H -3.085601 2.453130 -1.989364
H -3.919263 3.125320 -0.560870
H 0.171486 -1.516756 -1.536497
H 1.941808 -1.343053 -1.708103
H 4.616858 1.137527 0.774464
H -3.611856 0.639695 2.186766
H -3.331923 0.009481 -2.101321
H 5.610157 -1.150198 -1.061184
H 6.695197 -0.076092 -0.150420
H 1.333199 -3.620193 -0.782599
H 0.535700 -2.846064 0.619162
H 2.305502 -2.680679 0.392533
H 5.814405 2.082422 -1.252508
H 4.044948 2.316025 -1.355515
H 4.839345 1.020267 -2.318926
H -5.224019 -1.266706 2.362191
H -4.934946 -1.894551 -1.928542
H -5.893415 -2.546749 0.302666
H 4.564443 -1.936679 1.130203
H 5.672025 -0.871369 2.038676
H 6.325614 -2.248722 1.103785


