%chk=000291323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291323

0 1
S -2.700428 1.566591 0.136425
S 2.701339 1.565003 0.137691
O 0.000844 0.640772 -1.859477
O 0.001353 2.874575 -1.640636
C 0.000407 1.439003 0.342960
C -1.205445 1.273450 1.029759
C 1.205810 1.272733 1.030400
C -1.216147 0.944053 2.385206
C 1.215639 0.943323 2.385831
C -0.000485 0.778330 3.060734
C -3.314685 -0.066839 -0.143887
C 3.315031 -0.068785 -0.141777
C 0.000936 1.800181 -1.101722
C -2.531028 -1.019812 -0.796369
C -4.627210 -0.338599 0.246477
C 2.531331 -1.021426 -0.794725
C 4.627067 -0.341230 0.249684
C -3.077495 -2.280031 -1.058997
C -5.167374 -1.599522 -0.030483
C 3.077280 -2.281989 -1.056707
C 5.166735 -1.602523 -0.026634
C -4.393241 -2.568270 -0.678463
C 4.392572 -2.570920 -0.675075
H -2.161831 0.815814 2.915933
H 2.160965 0.814485 2.917047
H -0.000828 0.520434 4.120489
H -1.506242 -0.786767 -1.104725
H -5.228504 0.413992 0.757375
H 1.506907 -0.787839 -1.103888
H 5.228397 0.411101 0.760926
H -2.478497 -3.035869 -1.564352
H -6.191420 -1.826251 0.261958
H 2.478265 -3.037584 -1.562408
H 6.190415 -1.829777 0.266677
H -4.816356 -3.549668 -0.888365
H 4.815276 -3.552601 -0.884485
H 0.001147 0.832365 -2.836696


%chk=000291323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291323

0 1
S -2.819304 1.640293 0.025322
S 2.819809 1.637227 0.024098
O -0.002936 1.021831 -2.155730
O 0.000368 3.258846 -1.513157
C 0.000196 1.471083 0.187944
C -1.224266 1.180383 0.842219
C 1.224641 1.179018 0.841663
C -1.224628 0.587191 2.123083
C 1.224876 0.585850 2.122548
C 0.000095 0.276630 2.754273
C -3.616241 -0.025299 -0.125853
C 3.616677 -0.028666 -0.123809
C 0.000206 2.052184 -1.202155
C -2.916704 -1.118071 -0.689069
C -4.967234 -0.157908 0.268977
C 2.916996 -1.122683 -0.684431
C 4.967837 -0.160363 0.270768
C -3.575056 -2.359335 -0.837512
C -5.623487 -1.399860 0.097917
C 3.575369 -2.364215 -0.830510
C 5.624106 -1.402626 0.102067
C -4.928788 -2.503079 -0.448835
C 4.929269 -2.507046 -0.442080
H -2.177831 0.370466 2.614661
H 2.178045 0.368078 2.613729
H 0.000062 -0.185523 3.746907
H -1.877595 -0.994735 -1.012254
H -5.495584 0.694196 0.709383
H 1.877731 -1.000149 -1.007416
H 5.496305 0.692699 0.709170
H -3.033932 -3.209112 -1.268469
H -6.671101 -1.503608 0.401426
H 3.034124 -3.214938 -1.259440
H 6.671847 -1.505659 0.405382
H -5.436985 -3.465688 -0.572633
H 5.437483 -3.469880 -0.564044
H -0.003870 1.422371 -3.068438


