%chk=000276621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276621

0 1
S -3.365712 -0.364798 1.346576
S -4.901277 -1.373429 0.341094
O -5.598349 -2.181490 1.301197
O -4.263020 -1.981454 -0.800480
C 4.306719 0.265609 0.342748
C 5.624954 -0.420139 -0.041038
C 3.123335 -0.707875 0.258302
C 6.808695 0.552924 0.043635
C 1.805149 -0.021719 0.641518
C 8.126988 -0.132639 -0.340350
C 0.623060 -0.996294 0.557347
C 9.310581 0.840248 -0.255504
C -0.696103 -0.305370 0.939353
C 10.630045 0.155669 -0.639362
C -1.856426 -1.284239 0.852122
C 11.811754 1.119449 -0.556575
C -5.882152 -0.041979 -0.133924
C -5.625614 0.618514 -1.340719
C -6.934829 0.375885 0.688315
C -6.417907 1.704985 -1.721851
C -7.726424 1.462961 0.307701
C -7.465690 2.127541 -0.895952
H 4.382231 0.678753 1.367130
H 4.127998 1.134258 -0.319960
H 5.804213 -1.288917 0.621391
H 5.550196 -0.833221 -1.065475
H 3.302945 -1.576324 0.921224
H 3.049081 -1.121562 -0.766061
H 6.630001 1.421823 -0.618689
H 6.884173 0.965753 1.068095
H 1.880823 0.392409 1.665717
H 1.626583 0.846494 -0.022138
H 8.305945 -1.001543 0.321932
H 8.051880 -0.545407 -1.364845
H 0.802480 -1.863489 1.222271
H 0.549116 -1.410948 -0.467128
H 9.133325 1.709656 -0.917266
H 9.387205 1.253728 0.768419
H -0.612772 0.114827 1.963160
H -0.868060 0.564019 0.271188
H 10.555558 -0.256737 -1.664614
H 10.809725 -0.713331 0.023471
H -1.727097 -2.143921 1.536576
H -1.981600 -1.690837 -0.174403
H 11.683430 1.974173 -1.230345
H 12.748353 0.622157 -0.832219
H 11.937558 1.517609 0.456666
H -4.810641 0.283016 -1.991784
H -7.145652 -0.151058 1.626295
H -6.219641 2.220706 -2.660561
H -8.545291 1.790444 0.947128
H -8.082840 2.977110 -1.192527


%chk=000276621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276621

0 1
S -3.671566 -1.063170 2.355632
S -4.831234 -1.597822 0.240688
O -6.155291 -2.503170 0.521595
O -3.642978 -2.126362 -0.760223
C 4.038761 0.215149 0.527493
C 5.360104 -0.387090 -0.001410
C 2.886313 -0.812471 0.587320
C 6.532791 0.618758 -0.024738
C 1.552894 -0.216078 1.091954
C 7.844921 0.010665 -0.570047
C 0.424437 -1.267546 1.195042
C 9.030300 1.001875 -0.573201
C -0.918501 -0.664016 1.673641
C 10.337404 0.388637 -1.125982
C -2.006510 -1.744810 1.799568
C 11.520918 1.380148 -1.121021
C -5.420320 0.074334 -0.413623
C -4.520024 0.851596 -1.159193
C -6.746978 0.442154 -0.140241
C -4.990193 2.087654 -1.659654
C -7.193644 1.684878 -0.647667
C -6.317934 2.502969 -1.399093
H 4.207271 0.636392 1.540789
H 3.739776 1.068028 -0.117463
H 5.640508 -1.259083 0.626333
H 5.196775 -0.783535 -1.025540
H 3.183312 -1.653859 1.248143
H 2.732602 -1.250523 -0.421043
H 6.251824 1.498017 -0.641848
H 6.706186 1.003546 1.002184
H 1.712210 0.250016 2.086713
H 1.234888 0.601468 0.411819
H 8.114697 -0.879222 0.036947
H 7.674450 -0.359772 -1.602807
H 0.740211 -2.070525 1.893401
H 0.278957 -1.751182 0.207194
H 8.762536 1.895158 -1.175980
H 9.207086 1.367314 0.460256
H -0.768946 -0.158601 2.647983
H -1.255921 0.112939 0.960072
H 10.160316 0.026835 -2.159611
H 10.600972 -0.506287 -0.525625
H -1.734556 -2.539752 2.515533
H -2.200452 -2.221231 0.811118
H 11.296861 2.268542 -1.741478
H 12.442062 0.914826 -1.517955
H 11.736455 1.734647 -0.095236
H -3.505192 0.495454 -1.362062
H -7.405890 -0.223550 0.426102
H -4.320698 2.719977 -2.251767
H -8.222582 2.006594 -0.457229
H -6.672384 3.463086 -1.788981


