%chk=000242628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242628

0 1
S 0.108398 0.555019 -2.075684
S -1.266622 2.336897 -0.309281
C -0.005944 1.008840 -0.307165
C -0.585549 -0.127120 0.521917
C 1.324166 1.548110 0.202218
C -2.061518 -0.337666 0.297903
C 2.433377 0.527722 0.205240
C -2.990632 0.236439 1.180511
C 2.554047 -0.389194 1.260796
C -2.514646 -1.129614 -0.767489
C 3.371804 0.505698 -0.838676
C -4.358928 0.027266 0.989205
C 3.588513 -1.328722 1.259918
C -3.884631 -1.334491 -0.953400
C 4.404956 -0.435273 -0.834131
C -4.808975 -0.757894 -0.076941
C 4.513702 -1.356971 0.211742
H -0.397968 0.064697 1.603464
H -0.032595 -1.071523 0.313686
H 1.639175 2.433255 -0.395996
H 1.193206 1.951706 1.234030
H 1.208582 -0.231236 -2.050954
H -0.599631 3.278417 -1.013292
H -2.651571 0.851879 2.011837
H 1.847337 -0.367945 2.088141
H -1.802425 -1.575203 -1.460767
H 3.305187 1.228647 -1.651221
H -5.075908 0.479917 1.671546
H 3.675342 -2.039324 2.080957
H -4.231572 -1.943139 -1.786520
H 5.129520 -0.447553 -1.647536
H -5.874469 -0.917372 -0.225196
H 5.318073 -2.089869 0.212736


%chk=000242628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242628

0 1
S 0.043160 0.749495 -2.151397
S -1.179188 2.697362 -0.166630
C -0.016195 1.186806 -0.284113
C -0.638151 0.044752 0.569763
C 1.395948 1.605544 0.239606
C -2.098762 -0.298220 0.312225
C 2.469376 0.523263 0.209762
C -3.117175 0.267877 1.122146
C 2.627776 -0.387160 1.288063
C -2.473321 -1.204391 -0.712713
C 3.359150 0.422389 -0.893339
C -4.476815 -0.047170 0.903928
C 3.631442 -1.381018 1.257766
C -3.831503 -1.523358 -0.933174
C 4.364798 -0.570241 -0.927181
C -4.838777 -0.944185 -0.126969
C 4.501226 -1.479224 0.146889
H -0.521031 0.348996 1.629389
H -0.004349 -0.848490 0.416618
H 1.731342 2.469135 -0.363934
H 1.249201 1.967550 1.276377
H 1.067187 -0.187938 -2.038504
H -0.294119 3.562289 -0.794008
H -2.842646 0.963897 1.924562
H 1.970164 -0.308741 2.162250
H -1.698299 -1.650675 -1.344904
H 3.271970 1.137633 -1.719639
H -5.249684 0.402681 1.537271
H 3.739422 -2.072163 2.101186
H -4.103736 -2.223312 -1.731275
H 5.043717 -0.629259 -1.785299
H -5.892528 -1.192444 -0.297411
H 5.282200 -2.247283 0.124287


