%chk=000294075.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294075

0 1
S -0.392808 0.765581 -0.019631
O 4.562740 0.341077 -0.010359
O -6.598854 -0.678184 -0.024239
O -5.736771 1.387018 0.006291
O 3.574847 -1.690460 0.037528
C -3.036539 0.348893 -0.011889
C -4.254192 -0.583540 0.007997
C -1.745345 -0.457640 0.009414
C -5.533329 0.197934 -0.002366
C 1.036229 -0.239397 0.003838
C 5.880296 -0.314311 0.004932
C 2.239915 0.341521 -0.010097
C 6.856834 0.840996 -0.022424
C 3.464151 -0.482666 0.009150
H -3.087848 1.044297 0.855813
H -3.084482 1.002451 -0.911479
H -4.237073 -1.246209 0.902691
H -4.240542 -1.279799 -0.860803
H -1.673653 -1.087510 0.916100
H -1.671968 -1.131833 -0.864679
H 0.911238 -1.327543 0.029576
H 5.939621 -0.923864 0.922969
H 5.939406 -0.966460 -0.883364
H 2.404282 1.423035 -0.035646
H 7.893807 0.485066 -0.014099
H 6.717915 1.462376 -0.918200
H 6.718052 1.503956 0.843055
H -7.478630 -0.214684 -0.030479


%chk=000294075-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294075

0 1
S -0.461112 1.160890 -0.038372
O 4.646760 0.430818 -0.014297
O -6.631544 -1.088473 0.010987
O -5.969191 1.138193 0.001601
O 3.386463 -1.542562 0.012371
C -3.168965 0.418708 -0.022240
C -4.265523 -0.664876 0.015497
C -1.771745 -0.218371 -0.002323
C -5.663095 -0.072876 0.008649
C 1.024669 0.155561 -0.017723
C 5.886873 -0.399037 0.001791
C 2.296379 0.650722 -0.024710
C 7.064977 0.569859 0.002544
C 3.437381 -0.283084 -0.007364
H -3.292120 1.098093 0.840909
H -3.293251 1.038870 -0.928749
H -4.173525 -1.300695 0.917934
H -4.184988 -1.354405 -0.847289
H -1.606646 -0.806895 0.916558
H -1.603307 -0.857458 -0.886149
H 0.876830 -0.932554 0.001363
H 5.865697 -1.042070 0.900691
H 5.878784 -1.056394 -0.886952
H 2.522990 1.720720 -0.042418
H 8.015218 0.005222 0.014053
H 7.050816 1.208305 -0.897361
H 7.037636 1.222541 0.891882
H -7.539163 -0.678652 0.008719


