%chk=000229688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229688

0 1
S -4.438623 -0.985674 -0.081900
S 4.438331 0.985168 -0.082491
O -3.020895 -0.063344 -0.112064
O 3.020613 0.062777 -0.111393
O -4.415482 -1.722778 1.156203
O -4.483023 -1.709468 -1.326095
O 4.414125 1.725691 1.153541
O 4.483888 1.705492 -1.328659
C -7.017375 -0.143123 -0.189118
C 7.016653 0.142060 -0.191378
C -7.943880 1.046084 -0.581985
C 7.942428 -1.049400 -0.579075
C -5.559183 0.346131 -0.057966
C 5.558867 -0.346555 -0.053614
C -7.469171 -0.849543 1.089477
C 7.471348 0.856490 1.081733
C -8.083648 2.091416 0.528774
C -9.322607 0.527176 -1.008619
C 9.319935 -0.532902 -1.012525
C 8.085289 -2.087660 0.537909
C -0.700800 0.305424 -0.112025
C 0.700518 -0.305993 -0.111905
C -1.771076 -0.786937 -0.110059
C 1.770794 0.786370 -0.111616
H -7.066408 -0.879753 -1.036652
H 7.063463 0.873468 -1.043573
H -7.480467 1.547899 -1.470819
H 7.476860 -1.556935 -1.463526
H -5.329926 1.073439 -0.867850
H -5.456593 0.951535 0.869817
H 5.327530 -1.078665 -0.858562
H 5.458710 -0.946424 0.878016
H -6.815735 -1.692928 1.358964
H -8.482835 -1.253159 0.980843
H -7.479472 -0.175447 1.953792
H 6.818862 1.701824 1.347169
H 7.483202 0.187924 1.950325
H 8.484959 1.258979 0.968401
H -7.112119 2.486094 0.841726
H -8.690180 2.941224 0.194784
H -8.573325 1.676646 1.417530
H -9.248031 -0.203290 -1.821724
H -9.959382 1.345586 -1.363256
H -9.851052 0.043783 -0.179036
H 9.850349 -0.044042 -0.187415
H 9.956032 -1.353414 -1.363501
H 9.243100 0.192301 -1.830122
H 8.577424 -1.667267 1.422656
H 8.690903 -2.939573 0.207640
H 7.114634 -2.480337 0.856054
H -0.847446 0.962998 0.769245
H -0.848330 0.960568 -0.995006
H 0.847722 -0.962219 -0.994130
H 0.847490 -0.962485 0.770123
H -1.730122 -1.417633 -1.018324
H -1.729156 -1.415351 0.799939
H 1.728374 1.416691 0.797044
H 1.730340 1.415160 -1.021219


%chk=000229688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229688

0 1
S -4.534836 -1.210146 -0.105497
S 4.529272 1.202267 -0.116113
O -3.080449 -0.127104 -0.615831
O 3.083090 0.116222 -0.642440
O -4.152767 -1.933769 1.296644
O -5.027477 -2.125276 -1.347641
O 4.132375 1.914651 1.287739
O 5.027695 2.128431 -1.347707
C -7.175917 -0.114675 -0.133609
C 7.176146 0.123511 -0.124186
C -8.043620 1.185948 -0.310399
C 8.052750 -1.168846 -0.320001
C -5.727236 0.300515 0.142260
C 5.727066 -0.304385 0.128853
C -7.705362 -1.094818 0.938506
C 7.688318 1.084531 0.973287
C -8.139191 2.045720 0.973251
C -9.453884 0.837872 -0.844411
C 9.465566 -0.803506 -0.835583
C 8.142241 -2.054584 0.946418
C -0.714273 0.291628 -0.588137
C 0.715811 -0.304047 -0.575081
C -1.773585 -0.819074 -0.527882
C 1.774931 0.808457 -0.575533
H -7.191471 -0.632811 -1.115192
H 7.198412 0.661789 -1.094768
H -7.538924 1.796011 -1.090703
H 7.557455 -1.765071 -1.116720
H -5.322274 1.031244 -0.576802
H -5.510524 0.596129 1.181111
H 5.335539 -1.028207 -0.604526
H 5.499252 -0.614442 1.161076
H -7.123797 -2.034528 0.940181
H -8.756603 -1.363872 0.739984
H -7.644647 -0.663612 1.954124
H 7.095332 2.016912 0.993775
H 7.626995 0.628916 1.978162
H 8.737366 1.370365 0.787380
H -7.145813 2.363611 1.340398
H -8.727322 2.960728 0.776585
H -8.644681 1.496529 1.788249
H -9.399176 0.211375 -1.754117
H -10.005440 1.761564 -1.098974
H -10.050945 0.294220 -0.089545
H 10.054884 -0.274773 -0.064379
H 10.022730 -1.719102 -1.106668
H 9.415144 -0.157073 -1.731502
H 8.638730 -1.520279 1.776681
H 8.736146 -2.962693 0.735609
H 7.147421 -2.384556 1.298828
H -0.857139 0.971600 0.272952
H -0.869280 0.887165 -1.507655
H 0.867544 -0.945933 -1.463528
H 0.862023 -0.938766 0.319220
H -1.664948 -1.521191 -1.377211
H -1.710741 -1.377925 0.427054
H 1.719084 1.410370 0.353593
H 1.659407 1.470879 -1.455076


