%chk=000289392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289392

0 1
S 3.945929 1.504412 -0.392617
O -0.835852 1.528218 -0.650470
O 2.397478 1.253314 0.257370
O 4.491048 2.629549 0.323464
O 3.758155 1.580974 -1.820095
C -6.117102 -0.555314 -0.137219
C -6.141412 -1.869905 0.694502
C -4.691813 -0.019541 -0.265234
C -6.951384 0.514195 0.603360
C -6.768074 -0.822674 -1.507338
C -5.272232 -2.979750 0.111481
C -3.866108 0.026345 0.867909
C -4.185079 0.469630 -1.483293
C -2.562809 0.530127 0.808617
C -2.893022 0.977059 -1.576426
C -2.089305 1.000624 -0.420491
C 0.089955 1.605501 0.473520
C 1.362229 2.158170 -0.169745
C 4.682144 0.036486 0.082758
C 4.583026 -1.095998 -0.736474
C 5.384860 -0.037314 1.292788
C 5.882525 -2.373592 0.865957
C 5.179606 -2.294810 -0.349938
C 5.983256 -1.233531 1.684033
C 6.531994 -3.651439 1.275772
H -7.187542 -2.222563 0.777873
H -5.819066 -1.656500 1.732350
H -6.559393 0.714229 1.605236
H -7.995780 0.206881 0.709799
H -6.941288 1.465034 0.058954
H -7.765277 -1.260164 -1.390497
H -6.173342 -1.524727 -2.102114
H -6.886882 0.097438 -2.088622
H -5.633843 -3.304646 -0.870585
H -5.261070 -3.857856 0.765788
H -4.233412 -2.650014 -0.019348
H -4.240233 -0.340799 1.825165
H -4.804616 0.460991 -2.380788
H -1.950501 0.547102 1.702442
H -2.493687 1.353403 -2.514929
H 0.258957 0.591779 0.885179
H -0.337045 2.274126 1.237810
H 1.611294 3.174601 0.185415
H 1.286280 2.141698 -1.280252
H 4.040565 -1.039921 -1.687932
H 5.470680 0.849829 1.932044
H 5.100735 -3.170897 -0.991742
H 6.529986 -1.284062 2.624220
H 6.595714 -3.762682 2.367570
H 6.001364 -4.536080 0.895584
H 7.562288 -3.705638 0.888086


%chk=000289392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289392

0 1
S 4.163321 1.138430 -0.908093
O -1.011514 1.219158 -1.077662
O 2.489294 0.715512 -0.178534
O 4.563451 2.643666 -0.467740
O 4.132045 0.721158 -2.474805
C -6.453650 -0.380443 0.214256
C -6.605240 -1.940396 0.132161
C -5.005189 0.037252 -0.134966
C -6.767717 0.060694 1.677226
C -7.499328 0.287032 -0.716275
C -6.321297 -2.563156 -1.251512
C -3.913583 -0.494068 0.600042
C -4.694513 0.957549 -1.172204
C -2.574603 -0.138299 0.327179
C -3.366881 1.331161 -1.461164
C -2.300954 0.784018 -0.711988
C 0.123142 0.663294 -0.329368
C 1.366955 1.316166 -0.938710
C 5.143523 -0.105507 0.085417
C 5.291513 -1.399857 -0.436426
C 5.705993 0.316637 1.300313
C 6.645222 -1.951635 1.552067
C 6.053226 -2.321177 0.314744
C 6.461363 -0.626119 2.030050
C 7.485383 -2.942973 2.334854
H -7.636859 -2.196800 0.450225
H -5.929772 -2.402326 0.879685
H -6.075458 -0.407761 2.400361
H -7.798373 -0.231220 1.955880
H -6.676523 1.156996 1.784992
H -8.512786 -0.063078 -0.446056
H -7.333079 0.042906 -1.780570
H -7.487644 1.387738 -0.611263
H -7.043314 -2.217377 -2.013208
H -6.392756 -3.665520 -1.204119
H -5.306430 -2.303070 -1.602677
H -4.101235 -1.207455 1.411178
H -5.496105 1.398108 -1.771999
H -1.769560 -0.579344 0.922971
H -3.137734 2.041736 -2.261530
H 0.169158 -0.437398 -0.446255
H 0.041983 0.912643 0.746922
H 1.343517 2.412140 -0.800335
H 1.448237 1.070470 -2.013833
H 4.842845 -1.671335 -1.397048
H 5.567902 1.343619 1.652501
H 6.187934 -3.339812 -0.065688
H 6.912425 -0.327997 2.983176
H 7.367212 -2.803994 3.423629
H 7.219103 -3.985208 2.089848
H 8.560248 -2.813460 2.103252


