%chk=000272855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272855

0 1
S -2.129483 0.165628 -1.604164
O -0.835491 -1.475425 1.080320
O 1.497777 1.608612 1.680893
O 2.591279 -1.114041 -1.916975
O -0.108955 -2.370778 -0.867684
N 1.671714 0.169399 -0.157209
C -0.331934 0.614463 -1.685375
C 0.213042 0.052843 -0.344355
C 0.149255 -0.106244 -2.926614
C -0.140170 2.115876 -1.772677
C 2.192758 0.972174 0.933349
C 2.730657 -0.445222 -0.932663
C -0.235416 -1.406441 -0.160904
C 3.679522 0.817687 0.861012
C 3.998175 -0.023529 -0.239092
C -2.850924 1.288610 -0.356023
C 4.664423 1.345978 1.668246
C 5.304894 -0.343576 -0.538556
C -4.023391 0.542968 0.190722
C 6.007421 1.020336 1.363008
C 6.319506 0.196424 0.287599
C -3.866070 -0.285196 1.314404
C -5.286156 0.666654 -0.410158
C -1.399758 -2.760127 1.461384
C -4.963951 -0.973570 1.834245
C -6.380016 -0.027500 0.114054
C -6.222736 -0.845422 1.237110
H -0.255400 0.655404 0.506312
H 0.157575 -1.206973 -2.801731
H -0.462544 0.116973 -3.810275
H 1.185364 0.160653 -3.180378
H -0.681525 2.540346 -2.630488
H -0.473647 2.653076 -0.876919
H 0.920061 2.371009 -1.914296
H -2.114882 1.539245 0.432245
H -3.141143 2.240944 -0.839015
H 4.422641 1.991246 2.513923
H 5.553519 -0.991224 -1.380895
H 6.804099 1.426613 1.988710
H 7.361427 -0.044764 0.068981
H -2.880637 -0.398154 1.771256
H -5.414693 1.296540 -1.288586
H -0.736514 -3.576918 1.156178
H -1.479211 -2.681884 2.549502
H -2.379784 -2.854926 0.980350
H -4.839976 -1.611349 2.707381
H -7.357300 0.068963 -0.355953
H -7.076500 -1.382501 1.644303


%chk=000272855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272855

0 1
S -2.407516 -0.107923 -1.420095
O 0.828920 -2.579191 0.690481
O 1.029654 1.378290 1.639910
O 2.766755 -1.495973 -1.660468
O -0.523898 -2.824777 -1.184328
N 1.566204 -0.107911 -0.139215
C -0.498577 0.161578 -1.623508
C 0.178716 -0.545368 -0.396859
C -0.144618 -0.445584 -2.998165
C -0.176660 1.672094 -1.612488
C 1.879842 0.816007 0.905622
C 2.743602 -0.626309 -0.755382
C 0.105812 -2.090088 -0.401598
C 3.370295 0.932581 0.911707
C 3.887664 0.070002 -0.085080
C -2.862924 1.189855 -0.079163
C 4.213869 1.713203 1.715899
C 5.267213 -0.041054 -0.312311
C -4.289828 0.951548 0.357437
C 5.611859 1.609088 1.493267
C 6.130217 0.745832 0.494537
C -4.584992 0.045946 1.409315
C -5.361047 1.623327 -0.286101
C 0.864833 -4.056758 0.813633
C -5.919085 -0.176966 1.814764
C -6.697208 1.400619 0.115717
C -6.980190 0.500262 1.168829
H -0.368653 -0.215899 0.510422
H -0.517123 -1.476546 -3.096242
H -0.586708 0.174252 -3.797415
H 0.951986 -0.470531 -3.132467
H -0.817437 2.188668 -2.347670
H -0.329922 2.133782 -0.622096
H 0.877189 1.838269 -1.906111
H -2.159274 1.072772 0.762931
H -2.738657 2.191063 -0.521074
H 3.802297 2.373776 2.485170
H 5.656343 -0.712693 -1.083828
H 6.302954 2.202515 2.101221
H 7.213721 0.686259 0.346395
H -3.764877 -0.485435 1.907067
H -5.144439 2.319903 -1.105113
H 1.362998 -4.492829 -0.068283
H 1.439042 -4.247728 1.730725
H -0.159527 -4.457931 0.890384
H -6.131844 -0.876405 2.631091
H -7.514282 1.927619 -0.389814
H -8.015797 0.327691 1.482849


