%chk=000193324.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193324

0 1
S -6.491775 -0.788454 0.164532
O 0.779009 -1.794828 1.228240
O -4.254020 1.408667 0.466717
O -4.874521 -1.211994 0.478000
O 7.215148 -1.209980 -1.053233
O -6.620927 0.446864 1.231392
O -6.500649 -0.294290 -1.178500
O -7.304830 -1.857328 0.621836
C -0.953833 0.527550 -0.060132
C 0.147731 1.547778 -0.480943
C 1.479914 1.247835 0.221111
C 1.957572 -0.155422 -0.240659
C 3.330570 -0.540726 0.402337
C -0.529842 -0.852330 -0.583677
C -2.208389 1.145015 -0.770809
C 0.879279 -1.264332 -0.094879
C -0.520297 2.916745 -0.276213
C 2.529536 2.307168 -0.158381
C -2.000460 2.679621 -0.652765
C -1.205638 0.486322 1.453011
C 4.342013 0.574422 0.119733
C 3.900975 1.977633 0.433366
C 3.799154 -1.876402 -0.239937
C 3.261266 -0.695872 1.930037
C -3.517804 0.686037 -0.173254
C 5.282712 -2.162823 -0.024746
C 5.591533 0.336345 -0.308061
C 6.137860 -1.018159 -0.530236
C -3.890390 -0.771271 -0.444800
H 0.322045 1.434767 -1.583970
H 1.345073 1.252801 1.327632
H 2.147863 -0.076252 -1.346275
H -0.547758 -0.871205 -1.688965
H -1.250529 -1.632104 -0.254743
H -2.197909 0.861560 -1.850968
H 1.203561 -2.174689 -0.660304
H -0.061909 3.696236 -0.905236
H -0.425419 3.264452 0.766468
H 2.203293 3.304709 0.194186
H 2.611131 2.390141 -1.260449
H -2.676751 3.108823 0.111907
H -2.258211 3.176934 -1.602006
H -0.292285 0.231857 2.013132
H -1.550442 1.456396 1.835057
H -1.964574 -0.257093 1.727680
H 3.882844 2.099854 1.538936
H 4.645066 2.719577 0.074336
H 3.593850 -1.862687 -1.328793
H 3.199737 -2.711643 0.177660
H 4.260532 -0.817781 2.363982
H 2.793287 0.166883 2.412100
H 2.680682 -1.590027 2.206277
H 5.576105 -3.106059 -0.529243
H 5.505946 -2.327578 1.049614
H 0.499422 -1.095662 1.868993
H 6.301358 1.139401 -0.514224
H -3.030861 -1.457840 -0.248801
H -4.225819 -0.908689 -1.495978
H -5.865125 1.112328 1.226412


%chk=000193324-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193324

0 1
S -6.772496 -0.750504 -0.194647
O 0.836015 -1.787736 1.592958
O -4.206985 1.100015 0.722686
O -4.996087 -1.455496 -0.163511
O 7.230054 -1.354129 -1.361962
O -6.648241 0.261512 1.251836
O -6.875358 0.137951 -1.537700
O -7.762294 -1.959277 0.106137
C -0.963653 0.519994 0.149675
C 0.125743 1.545329 -0.300878
C 1.518227 1.278797 0.313202
C 1.970326 -0.171160 -0.056800
C 3.423979 -0.538927 0.459931
C -0.519659 -0.888003 -0.307086
C -2.202607 1.125074 -0.656582
C 0.897895 -1.280659 0.204722
C -0.548541 2.923144 -0.100164
C 2.545117 2.299892 -0.237131
C -2.046015 2.673375 -0.485962
C -1.259374 0.586132 1.675090
C 4.391240 0.545193 -0.050448
C 3.993188 1.986278 0.207817
C 3.815967 -1.931421 -0.123684
C 3.541923 -0.569410 2.020370
C -3.533443 0.569652 -0.215316
C 5.330025 -2.222129 -0.076802
C 5.589846 0.247402 -0.646673
C 6.132686 -1.121925 -0.767871
C -4.059357 -0.666905 -0.952693
H 0.244322 1.397290 -1.400101
H 1.469047 1.400169 1.415760
H 2.060885 -0.159437 -1.169640
H -0.500431 -0.917130 -1.417183
H -1.214109 -1.678152 0.037525
H -2.047040 0.838593 -1.717640
H 1.204727 -2.185049 -0.347316
H -0.090568 3.709800 -0.723745
H -0.463687 3.250177 0.953239
H 2.273802 3.322024 0.087800
H 2.495552 2.288447 -1.345881
H -2.734904 3.039577 0.293568
H -2.315696 3.184706 -1.426440
H -0.331242 0.664499 2.271208
H -1.871511 1.465258 1.937820
H -1.813409 -0.307827 2.013140
H 4.075819 2.182815 1.297979
H 4.704324 2.671436 -0.288349
H 3.489720 -1.977768 -1.183661
H 3.268593 -2.720319 0.423173
H 4.599602 -0.681734 2.320065
H 3.172686 0.362145 2.485986
H 2.964693 -1.414163 2.426686
H 5.571275 -3.189988 -0.550192
H 5.681330 -2.286776 0.973430
H 0.539615 -1.066806 2.201707
H 6.240655 1.049788 -1.018884
H -3.235651 -1.361144 -1.201998
H -4.517115 -0.325700 -1.909599
H -5.684302 0.664409 1.196534


