%chk=000218158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218158

0 1
S 4.215042 -0.266786 -0.072009
S 4.999809 -0.795270 -1.695881
O 2.764468 0.388773 -0.500842
O 4.951652 1.107152 0.489008
O 4.044821 -1.057266 1.102000
N -0.553568 0.579990 0.499710
N 0.546329 1.525846 -1.476276
C -2.882192 0.107421 1.135968
C -3.396126 -1.152662 -0.683952
C -2.929383 -1.403248 0.778188
C -1.937541 0.679625 0.018991
C -2.267041 -0.226037 -1.216444
C -4.325861 0.562788 0.782209
C -4.674290 -0.292095 -0.467517
C 0.485390 0.924150 -0.191405
C 1.829241 0.809741 0.522039
H -2.559156 0.350569 2.154224
H -3.558563 -2.046636 -1.295532
H -3.640815 -1.978956 1.379784
H -1.951979 -1.896793 0.855410
H -2.191916 1.744773 -0.198872
H -1.400035 -0.824621 -1.532589
H -2.592910 0.366291 -2.080586
H -4.387994 1.640440 0.579002
H -5.015319 0.358116 1.614744
H -5.552306 -0.929170 -0.286366
H -4.907217 0.330449 -1.341732
H 2.158933 1.797418 0.899707
H 1.791932 0.059092 1.340273
H -0.220675 1.326186 -2.104285
H 1.444596 1.474400 -1.949957
H 5.131276 1.167519 1.446989


%chk=000218158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218158

0 1
S 4.444449 0.176891 -0.149143
S 5.803817 -0.950425 -1.320005
O 2.810724 -0.744449 0.000338
O 3.626331 1.601079 -1.136917
O 4.855869 0.854568 1.260982
N -0.529274 -0.108529 0.722405
N 0.812543 1.279238 -0.740100
C -2.984336 -0.079979 1.135974
C -3.523304 -0.922519 -0.914954
C -3.258298 -1.477847 0.515174
C -1.815576 0.433919 0.242585
C -2.206585 -0.136959 -1.189587
C -4.274009 0.705717 0.753428
C -4.663462 0.106238 -0.650068
C 0.609679 0.354052 0.266791
C 1.857115 -0.163759 0.974069
H -2.729575 -0.057512 2.206657
H -3.760091 -1.667530 -1.692489
H -4.135847 -1.985207 0.954226
H -2.379827 -2.143476 0.572546
H -1.795375 1.547985 0.235221
H -1.412077 -0.815035 -1.551400
H -2.349744 0.664802 -1.939238
H -4.097370 1.796949 0.713857
H -5.069994 0.528814 1.498809
H -5.646027 -0.398453 -0.610629
H -4.717516 0.875472 -1.442194
H 2.349707 0.638865 1.561258
H 1.560597 -0.977402 1.657781
H 0.027796 1.600404 -1.303487
H 1.773383 1.502820 -1.041836
H 4.234878 2.392469 -1.086051


