%chk=000229683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229683

0 1
S -4.433815 -1.001831 -0.394904
S 4.434721 1.006923 -0.382167
O -3.019994 -0.075368 -0.351617
O 3.020878 0.080026 -0.350382
O -4.493772 -1.718272 0.851914
O -4.400111 -1.737702 -1.631546
O 4.493970 1.708904 0.872881
O 4.401701 1.757039 -1.610243
C -0.701701 0.304631 -0.348796
C 0.702586 -0.299982 -0.351842
C -5.558989 0.331069 -0.463715
C 5.559938 -0.325095 -0.465828
C -6.857488 -0.006054 0.271734
C 6.857060 0.002408 0.276368
C -1.766474 -0.793024 -0.354263
C 1.767357 0.797669 -0.345440
C -7.810099 1.198951 0.306773
C 7.809424 -1.203105 0.297903
C -9.109497 0.857686 1.030690
C 9.107554 -0.871240 1.028433
H -0.852008 0.955803 0.536706
H -0.851877 0.964662 -1.227699
H 0.852963 -0.950659 -1.237658
H 0.852694 -0.960503 0.526740
H -5.109157 1.255303 -0.032637
H -5.783221 0.618266 -1.515133
H 5.109182 -1.254718 -0.047474
H 5.786162 -0.598857 -1.520401
H -7.366529 -0.863309 -0.215984
H -6.636902 -0.335739 1.311534
H 7.367163 0.865732 -0.199384
H 6.634515 0.318884 1.319850
H -1.723494 -1.425196 0.552822
H -1.720503 -1.419281 -1.265594
H 1.721528 1.433630 -1.250034
H 1.724236 1.420112 0.568341
H -8.033374 1.536540 -0.724508
H -7.317863 2.056451 0.806842
H 8.034525 -1.527680 -0.737152
H 7.316152 -2.066769 0.786204
H -8.928723 0.550052 2.067783
H -9.784249 1.721400 1.060542
H -9.648603 0.040306 0.537278
H 8.924939 -0.576726 2.069007
H 9.782132 -1.735369 1.048572
H 9.647664 -0.047765 0.546386


%chk=000229683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229683

0 1
S -4.602717 -0.996717 0.242919
S 4.613798 1.007999 0.283755
O -3.078272 0.077811 0.469607
O 3.085489 -0.061015 0.514049
O -5.028099 -1.679430 1.648640
O -4.385082 -1.941130 -1.059401
O 5.060126 1.673470 1.691049
O 4.385631 1.967113 -1.006152
C -0.691895 0.351221 0.461543
C 0.699635 -0.331041 0.459679
C -5.765034 0.489792 -0.158626
C 5.760850 -0.482243 -0.146996
C -7.224993 0.044466 -0.088941
C 7.225608 -0.052976 -0.079480
C -1.814452 -0.696415 0.442615
C 1.823157 0.715415 0.490374
C -8.173511 1.238962 -0.374224
C 8.158946 -1.253381 -0.389577
C -9.656584 0.813928 -0.312071
C 9.647054 -0.845849 -0.330608
H -0.805935 0.983440 1.362197
H -0.797895 1.010396 -0.420640
H 0.817827 -0.960731 -0.442244
H 0.800929 -0.992910 1.340398
H -5.483731 1.231968 0.605488
H -5.423389 0.799288 -1.158818
H 5.476784 -1.233240 0.607433
H 5.410193 -0.773370 -1.149601
H -7.413745 -0.759139 -0.826481
H -7.442298 -0.369602 0.913882
H 7.418691 0.759909 -0.805612
H 7.453794 0.342793 0.928249
H -1.757637 -1.353691 1.332210
H -1.772804 -1.312700 -0.476942
H 1.796310 1.358872 -0.411096
H 1.753403 1.345842 1.398167
H -7.949326 1.661920 -1.373678
H -7.985568 2.045143 0.362618
H 7.923445 -1.658152 -1.393918
H 7.966672 -2.068710 0.335991
H -9.913790 0.412552 0.685418
H -10.323086 1.671338 -0.514767
H -9.877001 0.029280 -1.059125
H 9.914448 -0.461074 0.670748
H 10.302756 -1.707722 -0.549007
H 9.871896 -0.053475 -1.068124


