%chk=000239373.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239373

0 1
S 5.826662 0.671540 0.847071
O 0.191588 -2.078668 0.260795
O -5.322840 1.023172 -0.126465
O 1.977913 -3.447361 0.447921
C -1.388922 -0.275227 0.056363
C 0.001173 -0.680226 0.116049
C 2.277192 -0.984235 0.179866
C 1.188211 -0.019493 0.063843
C -1.726182 1.092882 -0.054137
C -2.411556 -1.240608 0.109052
C -4.063690 0.499213 -0.059109
C 1.607185 -2.320144 0.317701
C -3.052953 1.487639 -0.112620
C -3.752705 -0.865243 0.051690
C 3.613635 -0.833168 0.185653
C 4.300508 0.423500 0.022887
C -6.468641 0.106080 -0.078715
C 3.987984 1.534052 -0.712576
C 4.972069 2.584406 -0.609574
C -7.656126 1.041430 -0.175187
C 6.021854 2.271312 0.199283
H 1.348762 1.038491 -0.023099
H -0.935222 1.844023 -0.092537
H -2.142514 -2.299073 0.196474
H -3.337443 2.534505 -0.197461
H -4.526154 -1.624660 0.093571
H 4.254868 -1.718811 0.322495
H -6.430820 -0.444878 0.876519
H -6.394020 -0.585132 -0.935491
H 3.106871 1.633847 -1.333463
H 4.856385 3.521076 -1.139648
H -8.602866 0.489284 -0.151062
H -7.663421 1.765904 0.651902
H -7.628455 1.629394 -1.103867
H 6.879069 2.873774 0.447477


%chk=000239373-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239373

0 1
S 6.253060 0.232350 0.044899
O 0.193166 -2.030030 0.346219
O -5.467052 1.040692 -0.208389
O 2.129306 -3.345476 0.573781
C -1.432982 -0.230271 0.046694
C -0.040088 -0.638422 0.127345
C 2.248814 -0.874710 0.188728
C 1.155166 0.059199 0.031930
C -1.792426 1.136494 -0.160411
C -2.473460 -1.191980 0.172606
C -4.164538 0.547987 -0.112098
C 1.636256 -2.220881 0.392223
C -3.135481 1.521834 -0.238505
C -3.827470 -0.815340 0.095069
C 3.634412 -0.759642 0.182844
C 4.433622 0.418187 0.004710
C -6.587891 0.079740 -0.090553
C 4.105984 1.768993 -0.209322
C 5.236373 2.637215 -0.339632
C -7.875275 0.883421 -0.244033
C 6.459508 1.981916 -0.229598
H 1.231182 1.129894 -0.135339
H -1.012775 1.899291 -0.260105
H -2.204340 -2.240190 0.331797
H -3.421446 2.565775 -0.397161
H -4.601973 -1.580690 0.195477
H 4.169738 -1.707901 0.335490
H -6.536588 -0.419815 0.898166
H -6.492882 -0.689220 -0.883895
H 3.078101 2.127565 -0.271068
H 5.154555 3.713309 -0.509454
H -8.750598 0.213816 -0.162589
H -7.950370 1.654203 0.541624
H -7.908035 1.383836 -1.226626
H 7.463828 2.397450 -0.289223


