%chk=000240982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240982

0 1
S -0.690396 0.156151 2.295506
O -0.789443 2.592201 -0.043201
O -5.871074 1.021621 0.082323
O 5.036079 -0.343742 0.302276
O 5.588107 1.245023 -1.231214
C -2.907376 -0.879036 0.239744
C -1.422972 -0.976548 -0.118871
C -0.652973 0.236207 0.465798
C -3.515729 0.437656 -0.327232
C 0.817199 0.219126 -0.063781
C -2.890262 1.606039 0.428865
C -3.870781 -1.979863 -0.245829
C -0.804056 -2.302196 0.356016
C -1.381136 1.579674 0.250165
C -5.024586 0.188614 -0.102425
C -5.261130 -1.316521 -0.167275
C 1.429205 -1.165066 0.181396
C 1.679240 1.312436 0.620491
C -3.347430 0.631094 -1.840372
C 0.690231 -2.276088 0.345183
C 0.799567 0.466434 -1.586111
C 3.150682 1.268297 0.189765
C 2.892858 -1.245910 0.188788
C 3.646677 -0.134626 0.199882
C 5.941419 0.405255 -0.445589
C 7.309008 -0.049680 -0.081319
H -2.993685 -0.851345 1.360481
H -1.310807 -0.936207 -1.237289
H -3.149351 1.583494 1.508425
H -3.294265 2.578474 0.070325
H -3.812223 -2.880865 0.385310
H -3.638098 -2.302840 -1.274391
H -1.167271 -3.125758 -0.294787
H -1.161832 -2.563780 1.375599
H -5.827385 -1.649111 0.722212
H -5.897978 -1.570801 -1.032520
H 1.630803 1.226438 1.722184
H 1.258901 2.316254 0.383312
H -3.912672 1.507615 -2.187221
H -2.300579 0.802875 -2.118738
H -3.697564 -0.235859 -2.411458
H 1.158733 -3.249398 0.493060
H 0.461078 1.485430 -1.816397
H 1.803178 0.354935 -2.015359
H 0.148901 -0.242954 -2.110132
H 0.311927 -0.726945 2.518046
H 3.761466 1.914467 0.853448
H 3.284974 1.704828 -0.829122
H 3.345794 -2.236367 0.192672
H 7.302254 -0.840087 0.688199
H 7.910126 0.789496 0.305201
H 7.836146 -0.447241 -0.964138


%chk=000240982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240982

0 1
S -0.779618 0.192388 2.393091
O -0.850807 2.613101 -0.314782
O -5.954308 1.042342 0.160702
O 5.125629 -0.354197 0.404599
O 5.605277 0.805921 -1.577335
C -2.947849 -0.893779 0.170218
C -1.448237 -0.986252 -0.146526
C -0.668825 0.257941 0.428922
C -3.582503 0.435191 -0.331040
C 0.836780 0.240783 -0.048931
C -2.935000 1.617875 0.425084
C -3.915922 -1.991001 -0.346688
C -0.826984 -2.311000 0.351096
C -1.426212 1.594530 0.147897
C -5.077484 0.175349 -0.057049
C -5.313857 -1.351792 -0.099951
C 1.442646 -1.152296 0.241514
C 1.709682 1.325742 0.669856
C -3.463852 0.661108 -1.872253
C 0.680655 -2.282335 0.388686
C 0.917748 0.491388 -1.593884
C 3.196835 1.273463 0.243315
C 2.905678 -1.242960 0.310601
C 3.707226 -0.143353 0.277139
C 6.000551 0.215738 -0.552932
C 7.433103 0.011908 -0.117528
H -3.034466 -0.885901 1.280108
H -1.320332 -0.952508 -1.246819
H -3.123193 1.510609 1.511602
H -3.333158 2.593772 0.101133
H -3.795145 -2.947294 0.189759
H -3.756487 -2.193586 -1.422668
H -1.171892 -3.141211 -0.298005
H -1.220912 -2.542909 1.365257
H -5.739721 -1.657405 0.874877
H -6.071462 -1.600892 -0.864704
H 1.645193 1.182651 1.763215
H 1.297917 2.321652 0.443565
H -4.019215 1.573965 -2.151155
H -2.413217 0.803255 -2.181569
H -3.878635 -0.181661 -2.452451
H 1.189408 -3.239493 0.574962
H 0.615201 1.523949 -1.831995
H 1.952965 0.337200 -1.942090
H 0.285021 -0.211081 -2.162585
H 0.251510 -0.729038 2.509344
H 3.798640 1.897142 0.933342
H 3.344294 1.702642 -0.765607
H 3.362790 -2.236958 0.385376
H 7.569925 -0.984112 0.331690
H 7.689517 0.759926 0.656451
H 8.106601 0.152781 -0.974951


