%chk=000255925.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255925

0 1
S 3.258198 1.307623 -1.566126
S -2.744230 -1.818659 -0.752714
O -1.627724 1.760229 -0.580028
O 0.847151 1.292143 1.278858
O 1.696240 0.631281 -1.328103
O -1.801883 -0.918074 0.347703
O 0.996592 -0.914216 1.677827
O 3.525748 1.231712 -2.975827
O 3.166382 2.609002 -0.942800
O -2.252542 -1.439382 -2.055831
O -2.672416 -3.190313 -0.330426
C -0.706036 0.753939 -1.071511
C 0.627600 1.538421 -1.165344
C 0.580060 2.230674 0.234385
C -0.533116 -0.392831 -0.048501
C -0.893839 2.679577 0.295842
C 0.043848 0.078782 1.313495
C 1.277216 -0.982223 3.095049
C 4.202268 0.200629 -0.683925
C -4.276185 -1.144359 -0.407515
C 5.398856 -0.288699 -1.231672
C 3.789914 -0.224771 0.585166
C -4.450988 0.245231 -0.412157
C -5.361659 -1.983659 -0.117289
C 6.191093 -1.172353 -0.506634
C 4.584060 -1.110406 1.316145
C 5.789368 -1.587987 0.779020
C -5.706734 0.793863 -0.148322
C -6.616210 -1.440963 0.145549
C -6.798868 -0.044218 0.128595
C 6.639147 -2.543246 1.546801
C -8.148233 0.527914 0.403921
H -1.145725 0.413212 -2.035278
H 0.621460 2.275579 -1.997019
H 1.350195 3.014622 0.398017
H 0.108042 -1.201251 -0.482243
H -1.339849 2.583257 1.296418
H -1.074751 3.682774 -0.117235
H -0.734158 0.235261 2.085774
H 2.003444 -1.801446 3.153470
H 1.709807 -0.037708 3.438680
H 0.367592 -1.234006 3.648662
H 5.708527 0.020468 -2.236809
H 2.825584 0.121377 1.004451
H -3.597405 0.912880 -0.612197
H -5.222270 -3.071097 -0.092428
H 7.118646 -1.548682 -0.933894
H 4.256528 -1.436193 2.301225
H -5.834450 1.875057 -0.158483
H -7.457139 -2.095934 0.365957
H 7.704910 -2.275436 1.501555
H 6.547596 -3.562386 1.137721
H 6.367920 -2.600344 2.609661
H -8.152437 1.626029 0.435332
H -8.546759 0.178036 1.368224
H -8.872283 0.227368 -0.369491


%chk=000255925-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255925

0 1
S 3.547550 1.555270 -1.580437
S -2.480842 -1.746029 -0.727117
O -1.454233 2.325780 -0.283138
O 1.137743 1.606010 1.387361
O 1.758289 0.921703 -1.314838
O -1.765462 -0.505056 0.499500
O 0.702550 -0.559205 2.173664
O 3.922596 1.563738 -3.153045
O 3.692985 2.938781 -0.740998
O -1.964476 -1.304890 -2.202886
O -2.252891 -3.269476 -0.237227
C -0.608695 1.242797 -0.848980
C 0.767694 1.941755 -1.032487
C 0.861264 2.632659 0.365376
C -0.453769 0.066585 0.146009
C -0.547075 3.242338 0.489327
C 0.090076 0.545772 1.515966
C 0.845343 -0.377256 3.628569
C 4.368241 0.089892 -0.748415
C -4.264605 -1.257143 -0.415041
C 5.388936 -0.560209 -1.459083
C 3.931648 -0.286706 0.532362
C -4.636482 0.086409 -0.587187
C -5.154138 -2.274061 -0.036892
C 6.025883 -1.649665 -0.824373
C 4.583881 -1.383705 1.133299
C 5.635770 -2.075629 0.472364
C -5.993621 0.412942 -0.379741
C -6.506103 -1.916335 0.161161
C -6.945462 -0.577672 -0.013166
C 6.304027 -3.267202 1.132138
C -8.406307 -0.212142 0.171355
H -1.079230 0.909730 -1.783889
H 0.711968 2.698339 -1.838484
H 1.681719 3.356274 0.451113
H 0.229716 -0.692999 -0.276498
H -0.890560 3.296630 1.537214
H -0.601052 4.245920 0.029599
H -0.748308 0.962595 2.116105
H 1.275254 -1.318254 4.003139
H 1.517939 0.469199 3.858373
H -0.144336 -0.209786 4.098313
H 5.668572 -0.234783 -2.465823
H 3.099389 0.227101 1.026940
H -3.899378 0.854779 -0.840050
H -4.800597 -3.300545 0.102404
H 6.830693 -2.176469 -1.348823
H 4.257676 -1.712811 2.126427
H -6.314447 1.454108 -0.497409
H -7.225398 -2.688366 0.456450
H 7.244339 -3.540159 0.624265
H 5.640704 -4.152841 1.105474
H 6.533131 -3.064683 2.193655
H -8.521346 0.803972 0.587071
H -8.921098 -0.919713 0.843528
H -8.939561 -0.231189 -0.798792


