%chk=000180666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180666

0 1
S 4.096077 1.120394 0.951704
O 4.199527 -1.246734 -0.252047
N 2.243453 -0.767892 0.883844
C -0.788992 -1.011247 0.010611
C 0.440007 -1.708877 -0.581662
C -1.874473 -0.788598 -1.054690
C 1.520737 -1.998097 0.470076
C -3.068765 -0.094600 -0.457090
C -4.117124 -0.844120 0.098573
C -3.137693 1.307110 -0.443419
C -5.222299 -0.196884 0.657371
C -4.245134 1.949209 0.116664
C 3.509172 -0.505125 0.408336
C -5.289570 1.199936 0.667686
C 5.790071 1.144807 0.259746
C 5.935562 2.379031 -0.598199
H -0.502903 -0.036766 0.452227
H -1.205508 -1.610197 0.844521
H 0.139624 -2.665699 -1.054785
H 0.867713 -1.098345 -1.402877
H -1.463744 -0.195752 -1.897462
H -2.173609 -1.758047 -1.502351
H 1.077885 -2.461099 1.380426
H 2.258960 -2.731110 0.061133
H 1.694002 -0.059719 1.364981
H -4.070841 -1.930920 0.094983
H -2.328286 1.896166 -0.869477
H -6.033744 -0.782968 1.085726
H -4.294471 3.036885 0.123321
H -6.151093 1.701702 1.102162
H 6.500919 1.137590 1.107660
H 5.965001 0.211294 -0.322690
H 5.236373 2.378347 -1.446955
H 5.761098 3.306592 -0.036434
H 6.948968 2.444836 -1.020210


%chk=000180666-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180666

0 1
S 4.094454 0.825790 1.487782
O 3.976050 -1.046427 -0.570635
N 2.316133 -1.180693 1.068749
C -0.610109 -1.149108 -0.000097
C 0.559594 -1.978975 -0.569544
C -1.680988 -0.814346 -1.075784
C 1.629867 -2.351957 0.483143
C -2.838476 -0.002067 -0.513483
C -4.002891 -0.641769 -0.014807
C -2.761286 1.412998 -0.433799
C -5.059809 0.108119 0.549654
C -3.814695 2.168010 0.129314
C 3.433638 -0.631377 0.486119
C -4.968870 1.517363 0.624664
C 5.462849 1.364309 0.292017
C 5.012421 2.483075 -0.655920
H -0.226421 -0.201929 0.428244
H -1.095869 -1.700728 0.831317
H 0.168158 -2.921320 -1.005074
H 1.052052 -1.428481 -1.394459
H -1.188883 -0.259553 -1.898961
H -2.056251 -1.762822 -1.508373
H 1.170485 -2.922326 1.312741
H 2.403072 -2.986983 0.016612
H 1.930219 -0.740022 1.905379
H -4.083400 -1.734710 -0.075770
H -1.871879 1.925566 -0.822145
H -5.953410 -0.403808 0.925088
H -3.738829 3.260437 0.177429
H -5.788471 2.101206 1.058504
H 6.303133 1.667937 0.937574
H 5.732413 0.448547 -0.261958
H 4.185488 2.138433 -1.300216
H 4.673452 3.375712 -0.101635
H 5.853960 2.783004 -1.310267


