%chk=000239848.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239848

0 1
S -2.492339 -1.781329 -0.900548
O -1.422164 -2.381370 -0.127966
O -3.650645 -2.579004 -1.258952
N 0.106929 0.357396 -0.100054
N -0.797520 0.195380 0.746555
N 5.195413 -1.941237 0.761286
N -1.799238 -1.276666 -2.385415
C 2.554655 0.548867 -0.197046
C 3.842207 -0.012427 0.015692
C -3.020688 -0.296212 -0.189191
C 1.394764 -0.198120 0.210622
C -2.147614 0.595081 0.447536
C 3.942099 -1.328070 0.614696
C -4.872385 1.221256 0.256054
C -4.383660 0.023300 -0.273733
C 2.452382 1.844431 -0.798082
C 4.993618 0.737986 -0.376321
C 1.522283 -1.460571 0.780593
C 2.792190 -2.026570 0.981704
C -2.625247 1.811127 0.979414
C -3.977564 2.115151 0.879628
C 3.577942 2.539015 -1.163430
C 4.869064 1.980212 -0.947882
C -6.323303 1.562718 0.167681
H -5.072316 -0.680953 -0.759130
H 1.459393 2.264026 -0.969653
H 5.984119 0.309711 -0.223388
H 0.621170 -2.035096 1.051363
H 2.856891 -3.022013 1.415426
H -1.934515 2.497326 1.468318
H -4.352402 3.054827 1.288521
H 3.501325 3.523645 -1.623888
H 5.746589 2.550192 -1.246111
H -6.913889 0.781407 -0.330525
H -6.762935 1.705188 1.165687
H -6.482829 2.492454 -0.397380
H 5.260264 -2.736466 1.378008
H 6.018629 -1.359413 0.758430
H -2.116871 -1.713186 -3.245934
H -0.796400 -1.109390 -2.432782


%chk=000239848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239848

0 1
S -2.114842 -1.071445 -1.673877
O -1.308420 -2.283261 -0.939556
O -3.287304 -1.450883 -2.738365
N 0.032011 0.303318 0.196911
N -0.847588 0.279131 1.176838
N 5.220815 -1.670817 1.289212
N -1.018152 0.106831 -2.522652
C 2.434205 0.317879 -0.302626
C 3.764114 -0.196067 -0.058458
C -2.886957 0.070959 -0.361200
C 1.337648 -0.103203 0.546675
C -2.205052 0.490284 0.814900
C 3.972597 -1.124887 1.041813
C -5.004480 1.049340 0.373369
C -4.246264 0.333898 -0.586066
C 2.250098 1.267406 -1.359107
C 4.837953 0.237067 -0.901061
C 1.590205 -0.978539 1.627377
C 2.878589 -1.482942 1.869976
C -2.994906 1.162945 1.793619
C -4.350988 1.449908 1.571072
C 3.316413 1.666149 -2.169973
C 4.623764 1.142938 -1.943892
C -6.471419 1.354570 0.141745
H -4.705540 -0.047153 -1.506242
H 1.260080 1.711550 -1.500837
H 5.859336 -0.124936 -0.734661
H 0.743115 -1.293996 2.243446
H 3.037400 -2.193788 2.689373
H -2.492882 1.462988 2.719089
H -4.920792 1.985321 2.339709
H 3.151779 2.392989 -2.972499
H 5.458829 1.462332 -2.575950
H -6.822928 0.948137 -0.820766
H -7.101613 0.923748 0.942328
H -6.655041 2.445602 0.136172
H 5.348537 -2.317267 2.063627
H 6.020185 -1.484544 0.692120
H -0.646065 -0.331932 -3.381613
H -0.309039 0.362974 -1.800167


