%chk=000291328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291328

0 1
S 0.910185 1.976071 -1.514195
O -0.002097 -0.183531 2.265963
O -2.360489 0.045085 1.887998
O 0.685702 -0.560653 -1.892673
C 0.188414 0.003527 0.839079
C -0.893496 0.911349 0.281801
C 1.616076 0.527354 0.714652
C 0.071089 -1.388502 0.231739
C -0.676659 1.771405 -0.791983
C 2.026892 1.399309 -0.291560
C -2.223726 0.850880 0.780778
C 2.571718 0.086145 1.647179
C 0.331706 -1.659259 -1.133648
C -0.318849 -2.455160 1.048257
C -1.701568 2.523427 -1.383935
C 3.350282 1.842002 -0.393049
C -3.270422 1.582380 0.208160
C 3.896263 0.515256 1.559662
C -2.997043 2.413218 -0.884241
C 4.287142 1.391945 0.538772
C 0.219106 -2.959609 -1.650231
C -0.435385 -3.755187 0.543644
C -0.163401 -4.001835 -0.802433
C -3.690916 -0.166248 2.423638
C 1.010202 -0.802566 -3.289817
H 2.257520 -0.596156 2.442461
H -0.537540 -2.256570 2.104299
H -0.486658 0.565855 2.668481
H -1.492091 3.186908 -2.221548
H 3.650519 2.530063 -1.182338
H -4.282286 1.514640 0.591929
H 4.628641 0.166599 2.285423
H -3.807004 2.983539 -1.340504
H 5.321707 1.724282 0.473405
H 0.422205 -3.168754 -2.694345
H -0.735440 -4.565729 1.201108
H -0.250066 -5.012378 -1.200532
H -4.105525 0.774238 2.795677
H -4.334046 -0.631747 1.671287
H -3.485395 -0.863484 3.247395
H 0.134922 -1.191189 -3.816257
H 1.870721 -1.472067 -3.365288
H 1.265392 0.203548 -3.645809


%chk=000291328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291328

0 1
S 1.008902 2.758620 -1.120356
O 0.047422 0.234842 2.379876
O -2.482526 -0.361200 1.311992
O 0.427799 -0.599275 -1.767023
C 0.224319 0.201360 0.892579
C -0.870094 1.086380 0.262052
C 1.690384 0.621646 0.633669
C 0.067141 -1.281161 0.492865
C -0.636153 2.214242 -0.559904
C 2.132001 1.693377 -0.172351
C -2.250079 0.773786 0.533534
C 2.682749 -0.140338 1.312013
C 0.198357 -1.656673 -0.873409
C -0.150592 -2.291195 1.450309
C -1.689533 3.020036 -1.067378
C 3.513004 1.995648 -0.302697
C -3.307402 1.565960 0.030021
C 4.053983 0.144414 1.189247
C -3.019652 2.693662 -0.767635
C 4.474131 1.223103 0.372766
C 0.107173 -3.013119 -1.265372
C -0.237385 -3.650896 1.073090
C -0.110071 -4.008885 -0.286271
C -3.865520 -0.761197 1.568867
C 0.618197 -0.911372 -3.182290
H 2.348155 -0.968649 1.943793
H -0.267085 -1.985384 2.492756
H 0.212523 1.169702 2.666564
H -1.456119 3.889644 -1.690391
H 3.824798 2.837485 -0.931466
H -4.346964 1.313188 0.253007
H 4.790695 -0.465088 1.723124
H -3.836329 3.312396 -1.154764
H 5.538061 1.461564 0.266157
H 0.208166 -3.299018 -2.316750
H -0.405022 -4.420625 1.834104
H -0.176646 -5.059412 -0.591911
H -4.405780 0.005394 2.158195
H -4.412263 -0.961989 0.626840
H -3.782443 -1.688996 2.153582
H -0.285939 -1.380982 -3.616806
H 1.492043 -1.574531 -3.334651
H 0.799892 0.061936 -3.661175


