%chk=000206264.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206264

0 1
S 0.741067 -0.904564 -0.631012
O 0.524620 -0.632358 -2.034008
O 0.289850 -2.170956 -0.083761
N -0.086671 0.322933 0.278581
N 1.231227 2.272448 -0.416538
C -1.374394 -0.108981 0.896764
C -2.571499 0.119703 -0.040278
C -3.874994 -0.352279 0.614407
C -5.078508 -0.113957 -0.307369
C 2.392642 -0.657323 -0.222347
C 0.232530 1.715512 0.197253
C 3.022381 0.546562 -0.566713
C 2.232635 1.628239 -1.266436
C -6.386438 -0.585729 0.343447
C 3.106462 -1.665418 0.434395
C -0.661578 2.657360 0.961082
C 4.376302 0.733951 -0.256144
C -7.587190 -0.350087 -0.569979
C 4.455301 -1.478338 0.742820
C 5.086894 -0.277743 0.395021
H -1.294888 -1.194957 1.159474
H -1.521941 0.420621 1.863124
H -2.414043 -0.416042 -0.999092
H -2.645025 1.191246 -0.314081
H -3.802063 -1.430303 0.861961
H -4.029930 0.171064 1.577352
H -4.927090 -0.642271 -1.269171
H -5.153352 0.959757 -0.565190
H 2.905815 2.461023 -1.596167
H 1.778812 1.232653 -2.217502
H -6.314471 -1.662414 0.594453
H -6.540425 -0.060174 1.305987
H 2.605422 -2.602894 0.706063
H -0.680018 2.419718 2.032993
H -1.693073 2.630951 0.577656
H -0.309151 3.699960 0.867586
H 4.870767 1.670043 -0.513337
H -7.711362 0.712100 -0.809231
H -7.483854 -0.888831 -1.519098
H -8.515950 -0.691502 -0.099390
H 5.013194 -2.262163 1.252283
H 6.140983 -0.129861 0.636541


%chk=000206264-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206264

0 1
S 0.646309 -0.933470 -0.624877
O 0.316450 -0.737225 -2.206573
O 0.161197 -2.306339 0.100279
N -0.102106 0.462533 0.429875
N 1.312679 2.348431 -0.370219
C -1.414528 0.037825 0.982927
C -2.597788 0.179294 -0.001503
C -3.929677 -0.284905 0.628357
C -5.126050 -0.160123 -0.342104
C 2.472332 -0.674931 -0.239537
C 0.320528 1.817675 0.300331
C 3.050500 0.544324 -0.640975
C 2.219161 1.636003 -1.305367
C -6.462214 -0.635070 0.272496
C 3.143784 -1.718943 0.409032
C -0.483610 2.785901 1.172132
C 4.426381 0.702937 -0.341924
C -7.651215 -0.507235 -0.704235
C 4.518326 -1.530158 0.685753
C 5.151755 -0.322991 0.308332
H -1.309036 -1.020385 1.288858
H -1.594603 0.621316 1.903400
H -2.387449 -0.420882 -0.908380
H -2.688636 1.232710 -0.334492
H -3.833355 -1.341468 0.954004
H -4.139026 0.308420 1.543857
H -4.915520 -0.748649 -1.258928
H -5.228123 0.896278 -0.667921
H 2.903058 2.396249 -1.718431
H 1.649940 1.200234 -2.153628
H -6.359098 -1.691282 0.594858
H -6.671820 -0.048795 1.190793
H 2.610146 -2.632984 0.687924
H -0.402579 2.525218 2.243120
H -1.553025 2.799820 0.898624
H -0.057243 3.785890 1.012170
H 4.922807 1.638162 -0.623697
H -7.792386 0.543309 -1.021770
H -7.482134 -1.112150 -1.614900
H -8.594812 -0.850036 -0.241273
H 5.083673 -2.318609 1.192503
H 6.216001 -0.179198 0.523508


