%chk=000239547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239547

0 1
S -0.360728 -2.311992 0.275306
O 0.345026 -0.584401 -1.573603
C 2.209152 0.675563 0.696095
C 3.053363 -0.044216 -0.353537
C 1.868634 -0.784171 0.290386
C 1.293876 1.785249 0.239385
C 2.747773 0.878931 2.091233
C 4.431396 -0.503940 -0.076403
C 0.675140 -1.065280 -0.522695
C 5.511861 0.290599 -0.150384
C 6.888697 -0.237420 0.111749
C 5.436193 1.741622 -0.508975
C -1.780355 -2.453186 -0.858475
C -2.824942 -1.482632 -0.420749
C -2.779150 -0.156227 -0.878212
C -3.854509 -1.881094 0.441874
C -3.751145 0.770314 -0.485500
C -4.827019 -0.959418 0.837109
C -4.790981 0.365437 0.382774
C -3.678832 2.176296 -0.990797
C -5.846755 1.330225 0.819405
H 2.917760 0.266860 -1.404660
H 2.106768 -1.562485 1.032846
H 0.431842 1.892352 0.911444
H 1.818666 2.747478 0.215933
H 0.889618 1.611216 -0.770021
H 3.491420 0.119035 2.366534
H 3.240505 1.854526 2.187408
H 1.942192 0.836626 2.835688
H 4.520898 -1.560394 0.174671
H 7.568348 -0.005167 -0.719817
H 7.316813 0.211813 1.018526
H 6.909475 -1.326103 0.249562
H 6.281179 2.318019 -0.114083
H 5.435272 1.869053 -1.601344
H 4.516510 2.209943 -0.130097
H -2.125101 -3.505108 -0.824528
H -1.446072 -2.258595 -1.901814
H -1.967696 0.151062 -1.542759
H -3.898881 -2.903129 0.810769
H -5.622301 -1.279191 1.508504
H -2.814932 2.342961 -1.647598
H -4.577253 2.437723 -1.567465
H -3.599260 2.893790 -0.162437
H -6.395487 1.736069 -0.042167
H -6.587506 0.871472 1.486450
H -5.408474 2.180916 1.360071


%chk=000239547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239547

0 1
S -0.102219 -1.947629 0.219873
O 0.589730 0.306987 -1.202905
C 2.390861 1.211460 1.266567
C 3.280930 0.564679 0.196550
C 2.006771 -0.204876 0.717216
C 1.557641 2.426142 0.863537
C 2.852781 1.242878 2.723477
C 4.636641 0.021615 0.461531
C 0.881075 -0.420868 -0.217031
C 5.646873 -0.130726 -0.447571
C 6.993820 -0.689619 -0.019688
C 5.547046 0.221632 -1.920753
C -1.422423 -1.872533 -1.170590
C -2.721764 -1.246568 -0.729311
C -2.878720 0.163553 -0.743820
C -3.811340 -2.043368 -0.303014
C -4.083490 0.784816 -0.342070
C -5.020246 -1.434778 0.099196
C -5.178817 -0.027581 0.088803
C -4.208801 2.297949 -0.375905
C -6.489413 0.601681 0.526340
H 3.112890 0.972904 -0.806969
H 2.192350 -1.031929 1.411254
H 0.665277 2.520976 1.510770
H 2.161861 3.345756 0.979768
H 1.215987 2.361295 -0.182396
H 3.373164 0.318570 3.028410
H 3.543789 2.091141 2.888829
H 1.983929 1.374275 3.394412
H 4.841225 -0.284398 1.497973
H 7.236599 -1.613885 -0.581562
H 7.809338 0.030653 -0.231680
H 7.019258 -0.927653 1.057907
H 6.305050 0.983312 -2.191954
H 5.759046 -0.669084 -2.545049
H 4.557913 0.606883 -2.214648
H -1.541800 -2.921342 -1.484326
H -0.931020 -1.289652 -1.968514
H -2.035224 0.781830 -1.075167
H -3.715228 -3.135981 -0.284628
H -5.858951 -2.062148 0.425017
H -3.272991 2.767478 -0.722907
H -5.022836 2.624923 -1.051794
H -4.444297 2.709982 0.624675
H -6.938481 1.212482 -0.280816
H -7.225012 -0.167826 0.816472
H -6.347776 1.277595 1.392092


