%chk=000242439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242439

0 1
S -1.334902 1.549359 0.948062
O -0.204483 1.897336 -0.274870
O 1.838841 1.489736 -2.005969
O -2.218032 2.681405 1.012150
O -0.534281 1.190922 2.096635
C 2.123111 1.450640 -0.594530
C 1.092844 2.371178 0.112991
C 2.085648 0.005607 -0.113215
C 3.533601 2.023707 -0.470636
C 1.925900 -0.310799 1.241862
C 2.266486 -1.024770 -1.047725
C -2.116580 0.198443 0.238562
C 1.947280 -1.646447 1.656495
C 2.282508 -2.357961 -0.631879
C 2.125606 -2.671236 0.722485
C -1.488815 -1.052213 0.223402
C -3.386705 0.356118 -0.331622
C -2.132774 -2.147045 -0.360949
C -4.029685 -0.738104 -0.914207
C -3.401160 -1.989290 -0.928956
H 1.225296 2.382089 1.210356
H 1.152096 3.403822 -0.284682
H 3.878866 2.047003 0.567416
H 4.243792 1.412727 -1.047326
H 3.591199 3.036590 -0.888479
H 1.759610 0.475781 1.983438
H 2.399175 -0.770635 -2.102531
H 0.867193 1.389074 -2.153816
H 1.825132 -1.883597 2.712503
H 2.425803 -3.152113 -1.362069
H 2.148361 -3.708933 1.048702
H -0.493117 -1.182050 0.667560
H -3.878080 1.336831 -0.318547
H -1.643009 -3.120375 -0.374213
H -5.017747 -0.617444 -1.356948
H -3.903178 -2.843858 -1.385752


%chk=000242439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242439

0 1
S -1.447505 1.688439 0.923856
O -0.157156 1.995727 -0.423103
O 1.997223 1.597294 -2.064811
O -2.518939 2.896677 0.899037
O -0.624534 1.355493 2.283979
C 2.222854 1.491537 -0.607603
C 1.173244 2.397289 0.087669
C 2.138404 0.020452 -0.148098
C 3.639552 2.052997 -0.372902
C 2.087013 -0.322019 1.228544
C 2.176434 -1.021386 -1.107382
C -2.232860 0.148006 0.189251
C 2.062497 -1.675674 1.633576
C 2.150767 -2.376245 -0.704499
C 2.091986 -2.710234 0.668246
C -1.537585 -1.068371 0.282770
C -3.493585 0.303753 -0.409331
C -2.165445 -2.209794 -0.266563
C -4.099120 -0.853442 -0.950962
C -3.436273 -2.101476 -0.880265
H 1.203739 2.299810 1.190311
H 1.334759 3.450677 -0.203096
H 3.921399 1.991563 0.692742
H 4.363722 1.462757 -0.959289
H 3.695757 3.103166 -0.708049
H 2.054861 0.458197 1.996880
H 2.236187 -0.753318 -2.166818
H 1.017399 1.503594 -2.212064
H 2.020092 -1.920033 2.700885
H 2.185309 -3.168417 -1.461362
H 2.080498 -3.759727 0.983869
H -0.556614 -1.135410 0.763217
H -3.979115 1.284191 -0.440968
H -1.653749 -3.176032 -0.216335
H -5.082918 -0.775996 -1.424603
H -3.912499 -2.992548 -1.303031


