%chk=000186943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186943

0 1
S 0.466791 2.357867 2.991705
O -5.208258 2.324669 -1.406422
N 0.078587 0.204532 1.465038
C 0.494463 -0.751428 0.526712
C -1.303360 0.115688 2.042515
C 2.625181 0.398143 0.280727
C 1.738913 -0.667478 -0.058764
C 0.936670 1.251941 1.833800
C -2.341441 0.665137 1.100875
C -0.401994 -1.883669 0.177510
C 2.219438 1.325723 1.210625
C 3.953889 0.475982 -0.364640
C -2.354477 2.037366 0.777178
C -3.326391 -0.178755 0.576000
C -0.420790 -3.031373 0.984324
C -1.183796 -1.821058 -0.984344
C 4.059880 0.450713 -1.764376
C 5.111493 0.579114 0.422857
C -3.326952 2.553337 -0.067664
C -4.322394 0.317920 -0.272028
C -4.309185 1.681573 -0.585745
C -1.229251 -4.113204 0.627294
C -1.988354 -2.909366 -1.334893
C -2.012276 -4.053273 -0.530966
C 5.316806 0.529609 -2.369030
C 6.365700 0.651228 -0.188821
C 6.470062 0.627622 -1.583328
C -6.290572 1.545723 -1.969783
H -1.342568 0.678153 3.016016
H -1.511136 -0.946033 2.308300
H 2.058775 -1.423317 -0.775960
H 2.864414 2.162815 1.500525
H -1.594638 2.703475 1.200976
H -3.326560 -1.241464 0.823876
H 0.197865 -3.080694 1.880419
H -1.170004 -0.923848 -1.604807
H 3.162347 0.380132 -2.377585
H 5.031173 0.599770 1.509906
H -3.353359 3.608858 -0.330900
H -5.080715 -0.349535 -0.663794
H -1.246051 -5.006751 1.250604
H -2.596447 -2.863631 -2.237733
H -2.638906 -4.900458 -0.807709
H 5.397825 0.515953 -3.454974
H 7.263247 0.728796 0.423510
H 7.448519 0.687369 -2.057356
H -6.835404 2.304761 -2.546859
H -6.918349 1.135017 -1.173877
H -5.895910 0.764350 -2.624733


%chk=000186943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186943

0 1
S 0.554603 2.221977 3.274095
O -5.245762 2.442173 -1.378473
N 0.095248 0.097390 1.531970
C 0.480833 -0.793079 0.522651
C -1.305266 0.051838 2.083404
C 2.649309 0.350856 0.309411
C 1.721620 -0.669665 -0.094187
C 0.979171 1.115241 2.003917
C -2.341059 0.644539 1.140418
C -0.419409 -1.922713 0.126027
C 2.256265 1.197280 1.350519
C 3.974608 0.483489 -0.354753
C -2.275160 2.014884 0.761509
C -3.414748 -0.137528 0.657936
C -0.686463 -2.993299 1.020608
C -0.942977 -1.978335 -1.190516
C 4.149287 0.093826 -1.711926
C 5.098240 1.002436 0.347224
C -3.250844 2.576859 -0.078481
C -4.410722 0.414885 -0.180720
C -4.324337 1.778824 -0.551277
C -1.474795 -4.089571 0.608855
C -1.733183 -3.074934 -1.601290
C -2.004607 -4.132124 -0.702847
C 5.401750 0.224487 -2.347782
C 6.350944 1.131160 -0.287029
C 6.509425 0.743548 -1.638438
C -6.389957 1.671938 -1.868955
H -1.252959 0.639434 3.019678
H -1.557839 -0.990069 2.327824
H 1.996034 -1.415559 -0.843152
H 2.903484 2.006091 1.696306
H -1.460485 2.639214 1.145635
H -3.478187 -1.198003 0.931597
H -0.253483 -2.981296 2.027911
H -0.746422 -1.150905 -1.880813
H 3.294041 -0.283943 -2.283440
H 4.998063 1.279171 1.402401
H -3.212982 3.630388 -0.371956
H -5.229728 -0.218662 -0.534027
H -1.665351 -4.913076 1.305767
H -2.138204 -3.100500 -2.618764
H -2.615958 -4.983524 -1.021776
H 5.512295 -0.071664 -3.396790
H 7.205285 1.525144 0.274230
H 7.483039 0.842927 -2.130734
H -6.975690 2.380505 -2.472860
H -7.009665 1.293078 -1.032659
H -6.064802 0.822868 -2.502042


