%chk=000290663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290663

0 1
S 4.131015 -2.175443 -0.023655
S -4.131266 2.175229 -0.023820
O 0.000648 0.000806 4.640537
O 2.601069 -1.570616 0.365278
O -2.601307 1.570464 0.365151
O 3.900666 -3.280727 -0.921312
O 4.791949 -2.403536 1.239095
O -3.900928 3.280546 -0.921441
O -4.792265 2.403259 1.238905
C 0.620133 -0.467217 2.347848
C -0.620152 0.467494 2.347848
C 0.756509 -0.918293 3.813491
C -0.756328 0.918926 3.813407
C 0.462485 -1.635385 1.368456
C -0.462649 1.635434 1.368157
C 1.760515 -2.418742 1.180084
C -1.760712 2.418732 1.179771
C 4.770938 -0.815430 -0.840609
C -4.771097 0.815206 -0.840831
C 5.489612 0.155055 -0.130111
C -5.489811 -0.155294 -0.130393
C 4.577577 -0.668963 -2.220375
C -4.577625 0.668749 -2.220581
C 6.008473 1.266793 -0.791257
C -6.008600 -1.267037 -0.791585
C 5.094137 0.440966 -2.886663
C -5.094113 -0.441188 -2.886916
C 5.811615 1.420032 -2.175733
C -5.811630 -1.420267 -2.176048
C 6.375540 2.602334 -2.887591
C -6.375486 -2.602583 -2.887938
H 1.529966 0.112190 2.054460
H -1.530030 -0.111973 2.054721
H 1.788115 -0.864707 4.196055
H 0.331291 -1.915581 4.011170
H -1.787773 0.864676 4.196311
H -0.331815 1.916600 4.010652
H -0.342442 -2.321601 1.696411
H 0.141904 -1.238998 0.379316
H 0.342317 2.321732 1.695847
H -0.142195 1.238820 0.379066
H 1.588402 -3.365687 0.632947
H 2.284067 -2.617886 2.134422
H -1.588667 3.365603 0.632483
H -2.284200 2.618000 2.134118
H 5.651473 0.037864 0.948264
H -5.651760 -0.038109 0.947969
H 4.024393 -1.431830 -2.780974
H -4.024411 1.431627 -2.781135
H 6.568070 2.016507 -0.234157
H -6.568230 -2.016764 -0.234536
H 4.942141 0.548518 -3.959373
H -4.942029 -0.548730 -3.959614
H 7.395814 2.390062 -3.246334
H 5.781568 2.889748 -3.766887
H 6.442455 3.491159 -2.244010
H -7.395958 -2.390530 -3.246247
H -5.781773 -2.889666 -3.767515
H -6.441905 -3.491548 -2.244496


%chk=000290663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290663

0 1
S 4.158934 -2.543021 -0.287024
S -4.161981 2.543258 -0.285321
O -0.002129 -0.000046 2.198270
O 2.786084 -1.979947 -1.452724
O -2.788473 1.983015 -1.451777
O 5.164102 -3.530491 -1.078614
O 3.436319 -3.024231 1.090158
O -5.168911 3.529378 -1.076338
O -3.439829 3.025150 1.091857
C 0.541536 -0.556972 -0.102393
C -0.543524 0.560054 -0.101845
C 0.401269 -1.134114 1.325135
C -0.402997 1.135652 1.326205
C 0.383397 -1.597411 -1.225805
C -0.385558 1.601605 -1.224233
C 1.489435 -2.669120 -1.230739
C -1.492271 2.672630 -1.228583
C 4.975044 -0.879228 -0.033810
C -4.975519 0.878107 -0.032542
C 4.489536 -0.049537 0.990615
C -4.488195 0.048367 0.990997
C 6.048876 -0.537718 -0.870097
C -6.049409 0.535684 -0.868380
C 5.126096 1.195679 1.177012
C -5.122904 -1.197867 1.176892
C 6.664638 0.716014 -0.661534
C -6.663297 -0.719052 -0.660319
C 6.216016 1.597230 0.357825
C -6.212790 -1.600363 0.358118
C 6.905419 2.928140 0.590915
C -6.900127 -2.932429 0.590709
H 1.536868 -0.079151 -0.206400
H -1.538863 0.082310 -0.206100
H 1.332911 -1.565766 1.730034
H -0.394065 -1.910438 1.355798
H -1.334023 1.568431 1.731261
H 0.393616 1.910661 1.357801
H -0.591301 -2.119687 -1.124824
H 0.377156 -1.093017 -2.210546
H 0.588805 2.124353 -1.122427
H -0.378660 1.098106 -2.209424
H 1.347726 -3.397595 -2.050023
H 1.519806 -3.207770 -0.261492
H -1.350707 3.401916 -2.047173
H -1.523288 3.210445 -0.258884
H 3.662504 -0.369444 1.632639
H -3.661186 0.368843 1.632760
H 6.395687 -1.228941 -1.644481
H -6.397655 1.226971 -1.642065
H 4.770260 1.861799 1.971011
H -4.765602 -1.864043 1.970185
H 7.504403 1.010849 -1.300668
H -7.503059 -1.014602 -1.299125
H 7.679608 2.835580 1.376958
H 7.405818 3.292989 -0.322194
H 6.192163 3.701339 0.925516
H -7.673224 -2.841789 1.378048
H -7.401430 -3.296882 -0.322059
H -6.185356 -3.705083 0.923342


