%chk=000187280.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187280

0 1
S 7.082442 0.163021 0.706007
O -3.558462 0.165544 -1.556346
O -6.101321 -0.847234 1.651723
O -5.697163 1.928517 1.042613
O -2.333016 -0.786474 0.317917
O -5.247459 -2.485816 -1.048585
O -2.489267 2.803306 -1.924344
O 4.164525 -0.081652 1.406636
O 7.016391 1.459021 1.688906
O 7.211874 -1.368810 1.245304
N 3.194823 -0.092859 -0.757379
C -5.513695 -0.443732 0.381185
C -4.765817 0.897063 0.537609
C -4.119626 1.336375 -0.791661
C -4.583172 -1.581944 -0.104810
C -3.294190 -1.029669 -0.756157
C -3.011105 2.385971 -0.622768
C -0.966703 -0.616658 -0.021642
C -0.478029 -0.496923 -1.344583
C -0.074773 -0.564130 1.071984
C 1.808030 -0.275638 -0.459521
C 0.906478 -0.332332 -1.552090
C 1.306399 -0.393824 0.866064
C 5.601215 0.244782 -0.580912
C 4.262250 0.004828 0.138236
C 8.574432 0.456609 -0.475859
H -6.312614 -0.290924 -0.386806
H -4.017328 0.811824 1.342064
H -4.316476 -2.215459 0.754244
H -4.892254 1.738580 -1.479160
H -2.898104 -1.764339 -1.480446
H -2.207337 1.984551 0.026532
H -3.427830 3.295760 -0.159752
H -6.502627 -0.035891 2.063974
H -6.351818 2.154913 0.329941
H -5.561820 -1.960241 -1.829668
H -2.172937 1.985201 -2.388240
H -1.153312 -0.517079 -2.204258
H -0.475019 -0.666201 2.085074
H 1.281178 -0.237949 -2.579520
H 1.995755 -0.356507 1.710457
H 3.418318 -0.016265 -1.753154
H 5.845184 -0.538209 -1.318864
H 5.678229 1.254203 -1.018905
H 8.451358 1.452505 -0.923866
H 8.581795 -0.357764 -1.213734
H 9.450794 0.413951 0.185759


%chk=000187280-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187280

0 1
S 6.290909 -0.481050 -0.796426
O -3.224540 -0.342516 -1.504074
O -6.194114 -0.541822 1.477304
O -5.854888 1.909513 0.050880
O -2.221519 -0.466184 0.707807
O -4.760790 -2.876087 -0.267075
O -2.281632 2.158353 -2.596378
O 4.049380 1.022177 2.279782
O 6.714228 -1.901467 -0.123304
O 5.088911 -0.415460 -1.938433
N 3.371994 0.254782 0.145552
C -5.405862 -0.511154 0.252713
C -4.785848 0.887414 0.048389
C -3.963290 0.945277 -1.254181
C -4.325087 -1.615156 0.339239
C -2.997216 -1.164818 -0.315848
C -2.964006 2.110754 -1.303515
C -0.827733 -0.299277 0.499993
C -0.159592 -0.590067 -0.713907
C -0.106163 0.193197 1.609649
C 1.966989 0.090240 0.317294
C 1.233978 -0.399955 -0.793687
C 1.284108 0.392542 1.527512
C 5.744583 0.791089 0.609188
C 4.285547 0.669324 1.082269
C 7.837827 0.282759 -1.625443
H -6.054407 -0.721084 -0.634320
H -4.173289 1.152675 0.925503
H -4.145123 -1.856941 1.397427
H -4.639974 1.019760 -2.130727
H -2.450078 -2.048305 -0.690732
H -2.242291 2.027853 -0.466113
H -3.507725 3.066373 -1.216630
H -6.700646 0.313305 1.522119
H -6.387498 1.826032 -0.783978
H -5.009302 -2.708540 -1.213156
H -1.822236 1.287868 -2.720768
H -0.704302 -0.951576 -1.590300
H -0.645113 0.406390 2.537695
H 1.756627 -0.633563 -1.728761
H 1.844242 0.768731 2.385168
H 3.763940 -0.009787 -0.788783
H 5.939077 1.779774 0.158243
H 6.426938 0.583878 1.446285
H 8.609573 0.374932 -0.848422
H 7.534167 1.246444 -2.056173
H 8.119443 -0.444624 -2.399677


