%chk=000264481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264481

0 1
S 6.997602 1.750216 0.440839
O 0.851592 -0.404869 1.997971
C -1.150744 0.764648 -0.136210
C -2.420966 0.369192 0.576602
C -0.505731 -0.437269 -0.774973
C -3.708991 0.694328 0.024819
C -4.875272 0.291345 0.728707
C 0.700762 -0.976261 -0.299702
C -2.333150 -0.315110 1.769116
C -1.128624 -1.033351 -1.887403
C -3.866731 1.410309 -1.205165
C -4.748248 -0.418252 1.964247
C -3.506061 -0.710635 2.468657
C 1.388737 -0.417366 0.907842
C 1.269848 -2.095840 -0.929038
C -6.165154 0.602579 0.188477
C -0.561089 -2.145431 -2.505766
C -5.112961 1.696682 -1.701776
C 2.770630 0.113836 0.720502
C 0.643127 -2.680044 -2.027931
C -6.280670 1.285145 -0.995538
C 3.278649 0.434971 -0.545260
C 3.569067 0.314962 1.862010
C 4.574066 0.944209 -0.678034
C 4.862855 0.816750 1.738304
C 5.357216 1.128216 0.463021
C 7.391927 2.083599 -1.285581
H -1.347355 1.540609 -0.909838
H -0.469922 1.262071 0.590337
H -1.352166 -0.567364 2.191585
H -2.075029 -0.630809 -2.250468
H -2.969859 1.730539 -1.738175
H -5.651724 -0.718530 2.491016
H -3.394689 -1.249637 3.408894
H 2.203992 -2.511561 -0.548571
H -7.049335 0.285355 0.739316
H -1.056751 -2.604531 -3.361023
H -5.231446 2.241440 -2.636379
H 1.082384 -3.551107 -2.509803
H -7.257275 1.524476 -1.412174
H 2.662661 0.292184 -1.436011
H 3.158030 0.074945 2.847948
H 4.949691 1.188936 -1.669145
H 5.475181 0.965396 2.628994
H 6.731472 2.839323 -1.726243
H 7.364686 1.178224 -1.902694
H 8.418969 2.478082 -1.312004


%chk=000264481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264481

0 1
S 7.395684 1.540711 0.574770
O 0.869749 -0.001697 1.887027
C -1.314432 0.864072 -0.083005
C -2.603177 0.427812 0.622387
C -0.587436 -0.294655 -0.776201
C -3.914460 0.637509 0.047288
C -5.084189 0.181102 0.781997
C 0.736885 -0.705190 -0.424345
C -2.491507 -0.206790 1.868628
C -1.234583 -0.963602 -1.847686
C -4.131756 1.281726 -1.220568
C -4.918493 -0.466064 2.049345
C -3.642906 -0.655024 2.582507
C 1.467125 -0.140283 0.768088
C 1.363300 -1.760211 -1.147937
C -6.391623 0.386706 0.227054
C -0.611996 -2.016756 -2.549338
C -5.417229 1.469630 -1.734073
C 2.912497 0.229158 0.645098
C 0.696167 -2.421496 -2.197147
C -6.562061 1.017558 -1.005641
C 3.541468 0.483866 -0.602820
C 3.676145 0.398145 1.835836
C 4.890714 0.887333 -0.667165
C 5.021838 0.787128 1.780848
C 5.643351 1.035567 0.523863
C 7.814298 1.778114 -1.239164
H -1.530495 1.640751 -0.838228
H -0.650997 1.324320 0.664476
H -1.490269 -0.355919 2.288610
H -2.250822 -0.660039 -2.122744
H -3.274972 1.642722 -1.799420
H -5.809277 -0.806323 2.591117
H -3.516032 -1.146727 3.553397
H 2.369841 -2.081065 -0.857899
H -7.261902 0.037009 0.795962
H -1.144414 -2.520611 -3.363916
H -5.552676 1.967675 -2.700760
H 1.186135 -3.244791 -2.728051
H -7.565670 1.169783 -1.417805
H 2.967747 0.389189 -1.530472
H 3.182795 0.220985 2.797082
H 5.339267 1.087601 -1.644697
H 5.597182 0.903595 2.706096
H 7.196259 2.575110 -1.680701
H 7.696205 0.834292 -1.793609
H 8.871925 2.082674 -1.253785


