%chk=000182100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182100

0 1
S 0.283322 0.003793 -1.914659
S -4.854271 0.175508 -0.488688
S 3.732254 -0.127374 -2.231166
P 2.187792 -0.084855 -1.106354
O 2.062284 1.183430 -0.053375
O 1.956793 -1.374241 -0.097918
C -2.207435 0.081318 -0.923857
C -0.776288 0.018637 -0.405197
C -3.186322 0.099136 0.246965
C -5.923505 0.191555 0.993658
C 3.287171 1.857725 0.372597
C 3.125434 -2.141922 0.327929
C -7.347955 0.254546 0.484688
C 2.770111 2.939192 1.303596
C 2.517784 -3.224670 1.200898
H -2.420259 -0.787951 -1.586499
H -2.353166 0.985378 -1.557453
H -0.524973 0.894812 0.225295
H -0.592667 -0.894488 0.195630
H -3.019714 0.973445 0.901632
H -3.087983 -0.806940 0.871572
H -5.748062 -0.717751 1.596470
H -5.679925 1.064150 1.626312
H 3.942395 1.137624 0.894837
H 3.800815 2.282805 -0.512260
H 3.809742 -1.485635 0.895091
H 3.634963 -2.563438 -0.561028
H -8.063468 0.267979 1.318250
H -7.603365 -0.610379 -0.144261
H -7.535773 1.156955 -0.114718
H 2.048145 3.588609 0.787566
H 2.243108 2.507762 2.164671
H 3.585214 3.568262 1.678315
H 1.997079 -2.795386 2.066851
H 1.769901 -3.805404 0.641673
H 3.281822 -3.919086 1.567735


%chk=000182100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182100

0 1
S 0.498083 0.218964 -2.212362
S -4.830200 -0.377197 -0.590161
S 4.165577 -0.215332 -2.102118
P 2.427694 0.111128 -1.035743
O 2.265833 1.553022 -0.085620
O 2.104502 -1.028910 0.258624
C -2.113470 0.023809 -1.185400
C -0.710854 0.488837 -0.752412
C -3.130762 0.265941 -0.052102
C -5.818794 0.097973 0.958942
C 3.370058 1.871411 0.874715
C 2.387958 -2.470461 0.007809
C -7.277698 -0.350844 0.790299
C 3.034953 3.238378 1.461808
C 2.204100 -3.182971 1.345040
H -2.087852 -1.051483 -1.443026
H -2.437784 0.571293 -2.090748
H -0.679561 1.560484 -0.502889
H -0.325676 -0.100293 0.096490
H -3.224496 1.343916 0.172298
H -2.833689 -0.269775 0.867916
H -5.346301 -0.394388 1.827352
H -5.748907 1.192994 1.084399
H 3.401182 1.081281 1.647735
H 4.328704 1.881948 0.321278
H 3.420151 -2.571219 -0.378458
H 1.680168 -2.846321 -0.756481
H -7.866475 -0.077062 1.685287
H -7.345670 -1.445197 0.657646
H -7.744728 0.131602 -0.086646
H 2.988744 4.002808 0.668227
H 2.063089 3.213148 1.983426
H 3.814343 3.532563 2.189152
H 2.907954 -2.789324 2.097869
H 1.175872 -3.052737 1.723417
H 2.394949 -4.264885 1.219236


