%chk=000185277.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185277

0 1
S -2.859457 -1.111986 -0.376369
O -0.830018 -1.417834 1.269095
N -0.707215 0.470793 -0.061232
C 0.567923 1.015450 0.523454
C 0.574973 0.919769 2.063506
C -1.281577 1.250575 -1.192673
C 1.759713 0.312886 -0.106910
C -2.280545 2.306978 -0.691201
C 1.728992 1.718146 2.657977
C -1.277497 -0.691428 0.404928
C 2.623249 1.044986 -0.935347
C 2.012594 -1.045752 0.127957
C -2.805244 3.149950 -1.848390
C 3.729916 0.422492 -1.520144
C 3.118407 -1.664879 -0.459802
C 3.979383 -0.932845 -1.284025
C -3.242403 -2.710539 0.429153
C -4.663910 -2.648809 0.936186
H 0.596273 2.109092 0.253387
H 0.638744 -0.144343 2.383582
H -0.391201 1.284567 2.464298
H -1.760148 0.573333 -1.937525
H -0.445807 1.738040 -1.746213
H -3.125952 1.813332 -0.168669
H -1.802033 2.955296 0.068490
H 1.649806 2.787750 2.436415
H 1.755600 1.610424 3.749136
H 2.697529 1.370197 2.274584
H 2.439620 2.100370 -1.124811
H 1.337529 -1.621245 0.770483
H -3.325146 2.535996 -2.594164
H -3.522179 3.900343 -1.493139
H -2.001102 3.686809 -2.364025
H 4.397848 0.994914 -2.160839
H 3.308474 -2.720905 -0.274585
H 4.840262 -1.416828 -1.740306
H -3.098440 -3.512624 -0.318480
H -2.514721 -2.895219 1.252155
H -4.949011 -3.596267 1.415786
H -5.390287 -2.463936 0.133486
H -4.801444 -1.857048 1.686695


%chk=000185277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185277

0 1
S -3.042486 -1.151184 -0.694007
O -0.984133 -1.605551 1.088305
N -0.805426 0.384327 -0.148869
C 0.447936 0.881888 0.534774
C 0.394604 0.772468 2.082948
C -1.285674 1.216548 -1.280483
C 1.713679 0.275698 -0.084735
C -2.209040 2.377582 -0.842159
C 1.480883 1.645314 2.747514
C -1.410736 -0.794680 0.219803
C 2.613563 1.103999 -0.801080
C 2.015144 -1.106072 0.051283
C -2.644563 3.239735 -2.046055
C 3.790954 0.571292 -1.375998
C 3.188370 -1.639083 -0.524657
C 4.080859 -0.804642 -1.239682
C -3.466700 -2.770967 0.193150
C -4.260464 -2.541350 1.485473
H 0.455506 1.966426 0.304647
H 0.503563 -0.278811 2.392991
H -0.608688 1.100440 2.418389
H -1.811365 0.575277 -2.010598
H -0.393904 1.616942 -1.800796
H -3.096356 1.954224 -0.335763
H -1.682372 3.007879 -0.098094
H 1.356061 2.715556 2.492298
H 1.428884 1.554400 3.847312
H 2.493470 1.337249 2.430384
H 2.397044 2.175517 -0.903711
H 1.323051 -1.754177 0.599255
H -3.200675 2.635189 -2.786665
H -3.302964 4.066313 -1.724863
H -1.771379 3.684122 -2.560722
H 4.476953 1.226151 -1.925236
H 3.408457 -2.707205 -0.415744
H 4.991267 -1.222724 -1.683955
H -4.028747 -3.355833 -0.554197
H -2.500401 -3.259965 0.399380
H -4.512999 -3.513242 1.952502
H -5.201303 -1.996414 1.293420
H -3.658376 -1.962633 2.206143


