%chk=000272454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272454

0 1
S -2.088062 -1.214410 -0.723496
O -1.843194 -1.951764 0.805183
O -2.647374 -2.245883 -1.551846
O -0.787834 -0.659766 -1.033576
O 1.546339 2.792976 -0.654895
O 0.275293 1.808051 0.778317
O 6.195112 -1.124689 -1.629064
O 5.717189 0.938132 -2.074328
N 0.740766 -0.665014 1.495159
N 1.270246 1.834860 0.044037
N 5.471486 -0.142336 -1.562422
C 0.227354 -1.945075 2.028060
C -0.642168 -2.697006 1.000803
C 1.834743 -0.558125 0.686725
C -3.224280 -0.023960 -0.299875
C 2.154903 0.685166 0.031095
C 2.755150 -1.654821 0.531889
C -2.798059 1.265623 0.054841
C -4.594515 -0.324928 -0.310689
C -5.105358 1.940432 0.392092
C 3.346411 0.801948 -0.712225
C -3.730576 2.240566 0.398541
C -5.530071 0.647776 0.033079
C 4.223746 -0.271688 -0.808462
C 3.911492 -1.516493 -0.187294
C -6.096019 2.992237 0.755482
H 1.060295 -2.596755 2.377044
H -0.392335 -1.705967 2.928246
H -0.979745 -3.670354 1.413182
H -0.103702 -2.867663 0.049106
H 0.050395 0.114441 1.508920
H 2.518375 -2.609976 0.999387
H -1.725409 1.517830 0.057662
H -4.934013 -1.327421 -0.597141
H 3.578890 1.756484 -1.219796
H -3.390627 3.240387 0.670478
H -6.592048 0.406691 0.020910
H 4.618050 -2.349560 -0.303650
H -6.111969 3.797758 0.003337
H -5.852999 3.465311 1.719543
H -7.123279 2.611188 0.836241


%chk=000272454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272454

0 1
S -1.989471 -1.254692 -0.682585
O -1.761893 -1.922121 1.082310
O -2.645352 -2.418667 -1.593677
O -0.562418 -0.611005 -1.111585
O 1.560065 2.892462 -0.298223
O 0.320613 1.734863 1.215214
O 5.976398 -1.151678 -2.129833
O 5.425914 1.046070 -2.433997
N 0.895443 -0.769261 1.728133
N 1.325786 1.814891 0.364838
N 5.232180 -0.115939 -1.902219
C 0.391791 -2.042267 2.249514
C -0.551634 -2.750786 1.250084
C 1.919029 -0.618240 0.834541
C -3.258147 0.055693 -0.280524
C 2.180400 0.649548 0.175138
C 2.804836 -1.704545 0.507457
C -2.813620 1.295630 0.209727
C -4.605028 -0.263100 -0.513248
C -5.178760 2.011099 0.252843
C 3.262949 0.809157 -0.715135
C -3.797872 2.271663 0.471028
C -5.564409 0.736732 -0.240011
C 4.099936 -0.280052 -0.977534
C 3.871288 -1.546526 -0.370726
C -6.212524 3.086451 0.526924
H 1.219701 -2.721185 2.526148
H -0.172268 -1.824563 3.172349
H -0.878631 -3.730216 1.645390
H -0.037571 -2.908212 0.281306
H 0.318577 0.080752 1.848775
H 2.640716 -2.682064 0.967099
H -1.751786 1.507773 0.376091
H -4.889397 -1.244932 -0.904263
H 3.432104 1.773862 -1.199947
H -3.483600 3.250489 0.850435
H -6.624195 0.520942 -0.413806
H 4.543093 -2.375290 -0.609224
H -6.109678 3.922783 -0.190026
H -6.089449 3.512063 1.539323
H -7.240516 2.696621 0.442495


