%chk=000250600.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250600

0 1
S -3.900930 -1.674879 1.080547
O 0.358790 1.830921 1.106244
O 1.004691 2.133387 -1.158388
O -0.211342 -2.666154 0.035727
O 2.818568 -0.660730 0.678129
C -4.590289 -0.745187 -0.352771
C -4.362569 0.750795 -0.109543
C -2.950807 1.161337 -0.428087
C -6.065607 -1.097198 -0.419744
C -2.026846 1.339773 0.636548
C -2.521950 -2.633485 0.396662
C -2.564634 1.338376 -1.758940
C -0.738028 1.658303 0.276354
C -0.347494 1.829047 -1.086518
C -1.312688 -1.732936 0.225250
C -1.241972 1.682630 -2.121797
C 5.094905 -0.376889 0.218809
C 4.016042 -1.440943 0.418112
C 6.458831 -1.016809 -0.064323
C 1.044458 -2.038236 -0.265672
C 1.650217 -1.430322 1.007418
C 1.499768 2.109361 0.222237
C 7.540920 0.040673 -0.267266
H -4.072335 -1.069609 -1.285048
H -4.626743 1.021227 0.935727
H -5.072392 1.340032 -0.731478
H -6.221827 -2.177571 -0.549592
H -6.560761 -0.597297 -1.262349
H -6.608082 -0.808762 0.491181
H -2.324650 1.211831 1.674367
H -2.795370 -3.140238 -0.545893
H -2.301041 -3.446318 1.123588
H -3.295834 1.207781 -2.555631
H -1.102259 -1.124796 1.124875
H -1.385157 -1.078720 -0.662411
H -0.954704 1.819488 -3.159836
H 5.146938 0.269997 1.117296
H 4.801703 0.297400 -0.610506
H 4.215624 -2.092583 1.285238
H 3.853550 -2.053880 -0.483435
H 6.743889 -1.685968 0.771738
H 6.395126 -1.661848 -0.963149
H 0.931097 -1.280644 -1.060718
H 1.637931 -2.887510 -0.651093
H 0.987891 -0.659893 1.454714
H 1.879565 -2.195303 1.765943
H 2.211980 1.267266 0.313247
H 1.869586 3.112879 0.462933
H 7.658022 0.675454 0.618801
H 8.513788 -0.422077 -0.469238
H 7.309928 0.699224 -1.112758


%chk=000250600-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250600

0 1
S -4.077215 -1.566432 1.238137
O 0.184961 2.200145 1.280230
O 1.109212 2.266799 -0.937530
O -0.261095 -2.828579 0.266148
O 2.832087 -0.705368 0.831360
C -4.645865 -0.752846 -0.411615
C -4.401586 0.785393 -0.392670
C -2.948782 1.200302 -0.570182
C -6.131550 -1.094033 -0.631116
C -2.139475 1.529936 0.558310
C -2.643176 -2.667932 0.678401
C -2.384469 1.233095 -1.872940
C -0.799072 1.846659 0.323957
C -0.249689 1.872389 -0.976886
C -1.348475 -1.869085 0.541760
C -1.022731 1.574530 -2.101998
C 5.157254 -0.357405 0.212273
C 4.009632 -1.371077 0.244610
C 6.449350 -0.951795 -0.396469
C 1.002397 -2.165177 -0.085189
C 1.732522 -1.623138 1.167722
C 1.465942 2.283556 0.512709
C 7.609132 0.066557 -0.429744
H -4.021730 -1.220501 -1.195533
H -4.814463 1.193007 0.549041
H -5.005541 1.216352 -1.217489
H -6.290398 -2.185302 -0.643250
H -6.487112 -0.673517 -1.592198
H -6.756894 -0.670963 0.176543
H -2.550347 1.506872 1.570917
H -2.918769 -3.167872 -0.265006
H -2.545334 -3.434693 1.465195
H -3.018661 0.993431 -2.734791
H -1.158993 -1.307622 1.478924
H -1.420006 -1.138073 -0.289605
H -0.599100 1.610497 -3.108970
H 5.352317 -0.004469 1.243488
H 4.838772 0.525267 -0.376649
H 4.280435 -2.254494 0.865849
H 3.779392 -1.727120 -0.782529
H 6.756560 -1.842766 0.188455
H 6.241939 -1.309502 -1.425663
H 0.824006 -1.325904 -0.792271
H 1.599045 -2.941858 -0.593711
H 1.040957 -1.016510 1.776515
H 2.107805 -2.463167 1.789229
H 2.083046 1.394301 0.736658
H 1.950621 3.244384 0.744806
H 7.859533 0.415675 0.589487
H 8.521468 -0.376078 -0.869442
H 7.339643 0.954529 -1.031778


