%chk=000210731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210731

0 1
S -2.043133 -1.796566 1.393838
N 0.582863 0.422124 -0.004789
N 3.350275 -0.462105 -0.038479
C -0.922750 0.415362 -0.003384
C -1.437694 1.142211 1.273030
C -1.460443 1.186474 -1.247192
C -1.049231 2.626789 1.289096
C -1.078423 2.670898 -1.224503
C -1.584971 3.356098 0.050827
C 1.194471 -0.262344 1.182174
C 1.201201 -0.150076 -1.245370
C -1.476379 -0.994239 -0.053018
C 2.703686 0.055212 1.213375
C 2.709957 0.172458 -1.238372
C -1.605910 -1.838873 -1.114156
C 4.816460 -0.177036 -0.021106
C -2.155356 -3.133100 -0.770165
C -2.443286 -3.267212 0.550905
H -1.040897 0.658545 2.187817
H -2.540742 1.051641 1.317419
H -2.562660 1.082292 -1.271798
H -1.086531 0.723812 -2.180243
H 0.056526 2.715782 1.320556
H -1.431488 3.103194 2.209803
H -1.485576 3.176446 -2.118678
H 0.025714 2.766786 -1.280261
H -2.690925 3.367794 0.063861
H -1.265368 4.414194 0.065676
H 1.045257 -1.365184 1.164300
H 0.720149 0.122008 2.111106
H 0.731746 0.315810 -2.137955
H 1.056134 -1.250886 -1.326688
H 2.852362 1.147172 1.357837
H 3.167743 -0.462656 2.079240
H 3.180246 -0.257843 -2.147514
H 2.855906 1.273753 -1.275667
H -1.337994 -1.602097 -2.134454
H 5.084015 0.888365 0.030944
H 5.274612 -0.606325 -0.926422
H 5.269680 -0.691218 0.841565
H -2.307461 -3.896930 -1.520801
H -2.855086 -4.113229 1.070846


%chk=000210731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210731

0 1
S -1.640338 -2.093153 1.393363
N 0.558246 0.367053 -0.003171
N 3.372335 -0.374539 0.039288
C -0.959116 0.376969 -0.016854
C -1.507045 1.114147 1.247805
C -1.451639 1.204951 -1.252234
C -1.035028 2.582462 1.340298
C -0.975999 2.674013 -1.202765
C -1.458205 3.380467 0.085081
C 1.223400 -0.074184 1.250289
C 1.201149 -0.311826 -1.159634
C -1.531882 -1.041497 -0.096278
C 2.723273 0.272586 1.200557
C 2.699678 0.034726 -1.213423
C -1.939414 -1.772995 -1.206093
C 4.828289 -0.148907 0.003553
C -2.340445 -3.130697 -0.925450
C -2.242123 -3.469545 0.412818
H -1.252241 0.562989 2.172334
H -2.612345 1.088282 1.177957
H -2.558961 1.169200 -1.250828
H -1.127663 0.739896 -2.201107
H 0.067063 2.614718 1.435548
H -1.459792 3.047908 2.251302
H -1.349868 3.210926 -2.096773
H 0.129731 2.695404 -1.237210
H -2.564844 3.468078 0.063509
H -1.054561 4.410438 0.131183
H 1.117982 -1.172195 1.417531
H 0.779951 0.447835 2.113843
H 0.731099 0.026503 -2.098095
H 1.090757 -1.419766 -1.101154
H 2.831877 1.388518 1.162209
H 3.210470 -0.087866 2.126613
H 3.168156 -0.502536 -2.060168
H 2.809409 1.135797 -1.397748
H -1.965374 -1.348409 -2.212615
H 5.108984 0.930750 -0.102600
H 5.269692 -0.701034 -0.845871
H 5.286871 -0.530188 0.933914
H -2.690852 -3.826310 -1.692220
H -2.473977 -4.411668 0.906494


