%chk=000229577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229577

0 1
S 5.790380 -0.350470 0.649365
O 5.811005 -1.269542 -0.489935
O 5.874074 -0.889658 1.989863
O 7.973257 -0.246705 -1.609179
O -9.287818 -0.634349 -0.823153
O -8.476314 1.333154 -0.138309
C 0.579217 -0.344156 0.273149
C 1.813134 0.567145 0.324688
C -0.712346 0.470624 0.122602
C 3.101121 -0.255373 0.471823
C -1.945620 -0.441572 0.073401
C 4.340744 0.644206 0.527946
C -3.237368 0.372673 -0.078478
C -4.470992 -0.539210 -0.125106
C -5.757805 0.280049 -0.276489
C 7.114604 0.788642 0.424339
C -6.991144 -0.628138 -0.327315
C 7.463603 0.956461 -1.057814
C -8.253430 0.174738 -0.394647
H 0.528656 -0.963601 1.190079
H 0.673002 -1.059662 -0.567318
H 1.860800 1.186304 -0.591795
H 1.719193 1.278993 1.167426
H -0.807276 1.185872 0.962510
H -0.664310 1.087614 -0.795525
H 3.187988 -0.968433 -0.377816
H 3.041308 -0.877691 1.390711
H -1.994299 -1.058284 0.991853
H -1.850560 -1.158134 -0.765481
H 4.245103 1.339058 1.386617
H 4.355991 1.298656 -0.365406
H -3.330923 1.090519 0.759790
H -3.188458 0.988517 -0.997600
H -4.376380 -1.256814 -0.963376
H -4.517896 -1.154012 0.794939
H -5.710844 0.902080 -1.193128
H -5.857879 1.000311 0.562494
H 6.941349 1.769266 0.899084
H 8.027643 0.415147 0.949459
H -7.032859 -1.288512 0.568135
H -6.937784 -1.325547 -1.192878
H 8.305126 1.667776 -1.187870
H 6.595754 1.302506 -1.649677
H 7.275929 -0.977021 -1.606294
H -10.156076 -0.154926 -0.874588


%chk=000229577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229577

0 1
S 5.924850 -0.438345 0.586177
O 5.931560 -1.325629 -0.814766
O 5.932766 -1.180568 2.040657
O 8.246379 -0.130442 -1.724765
O -9.536019 -0.768505 -0.506856
O -8.576653 1.330591 -0.753871
C 0.545637 -0.302202 0.300437
C 1.801883 0.598843 0.321653
C -0.767791 0.493742 0.131406
C 3.105723 -0.230647 0.444732
C -2.023663 -0.406831 0.125173
C 4.334317 0.677032 0.495357
C -3.337218 0.379884 -0.082198
C -4.592410 -0.521330 -0.082445
C -5.898580 0.269616 -0.312804
C 7.467214 0.755648 0.457520
C -7.139077 -0.643454 -0.307162
C 7.768766 1.045078 -1.020354
C -8.435065 0.106109 -0.545068
H 0.501900 -0.890778 1.239835
H 0.637088 -1.037886 -0.525012
H 1.832605 1.207664 -0.605321
H 1.727371 1.311686 1.168578
H -0.856165 1.239847 0.948624
H -0.727591 1.071708 -0.815516
H 3.192665 -0.917813 -0.418479
H 3.067978 -0.851194 1.360508
H -2.077600 -0.967224 1.081855
H -1.923092 -1.168783 -0.675901
H 4.391607 1.297511 1.405508
H 4.475528 1.275578 -0.420192
H -3.437232 1.146927 0.713833
H -3.284512 0.934031 -1.042479
H -4.483816 -1.296853 -0.869667
H -4.651697 -1.064944 0.883868
H -5.845795 0.810979 -1.276811
H -6.010960 1.047044 0.467232
H 7.195954 1.638707 1.061372
H 8.258142 0.161237 0.942856
H -7.232764 -1.185398 0.654473
H -7.057239 -1.430487 -1.082898
H 8.589596 1.784495 -1.061974
H 6.882724 1.500884 -1.517404
H 7.513111 -0.818728 -1.670345
H -10.369825 -0.248300 -0.668271


