%chk=000248499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248499

0 1
S -5.661256 0.380949 0.215110
O -4.064312 0.543259 -0.300646
O 6.740894 0.341746 0.892342
O -5.677623 0.724127 1.613508
O -6.118790 -0.915142 -0.209937
C -0.812149 -0.976926 0.316172
C -1.658783 0.246447 -0.162508
C 0.588978 -0.946007 -0.307739
C 1.301334 0.346039 0.185912
C 2.742898 0.468754 -0.409331
C -0.994050 1.512795 0.400422
C 0.459006 1.610503 -0.097565
C -3.040802 -0.118669 0.467718
C -1.728429 -2.186489 0.059645
C 1.407352 -2.178416 0.108602
C -3.150364 -1.658153 0.356115
C 3.522428 -0.825900 -0.168831
C -1.807490 0.346477 -1.685249
C 2.819838 -2.119380 -0.477329
C 3.451772 1.653587 0.304399
C 2.720707 0.704898 -1.930090
C 4.958259 1.690678 0.063110
C 4.806814 -0.837706 0.225031
C 5.610567 0.378071 0.451802
C -6.350766 1.639431 -0.761444
H -0.682770 -0.896693 1.427621
H 0.507165 -0.923902 -1.419773
H 1.413619 0.257729 1.296697
H -1.019261 1.507701 1.505836
H -1.558178 2.412528 0.092201
H 0.451987 1.816904 -1.186674
H 0.938726 2.489010 0.374540
H -3.131812 0.238284 1.515789
H -1.471499 -3.041047 0.704373
H -1.647342 -2.542771 -0.980894
H 0.901488 -3.102848 -0.229514
H 1.460906 -2.251866 1.212492
H -3.858245 -1.943907 -0.446182
H -3.556027 -2.097243 1.282475
H -2.223760 -0.574585 -2.108783
H -2.502759 1.154626 -1.946178
H -0.852243 0.544789 -2.180102
H 2.780403 -2.240273 -1.582405
H 3.406683 -2.988262 -0.112434
H 3.263624 1.590194 1.395838
H 3.002677 2.610291 -0.024821
H 2.125507 -0.056657 -2.446985
H 2.288624 1.680653 -2.178140
H 3.731616 0.679721 -2.353156
H 5.424734 2.523189 0.628036
H 5.187999 1.897846 -1.002016
H 5.352580 -1.766592 0.400490
H -5.608266 2.125002 -1.418494
H -7.146288 1.280802 -1.434220
H -6.795621 2.454803 -0.168935


%chk=000248499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248499

0 1
S -5.737448 0.457166 0.594966
O -4.148284 0.507285 -0.406712
O 6.650378 0.534973 1.480712
O -5.365591 0.661561 2.160843
O -6.668007 -0.787152 0.143664
C -0.827484 -1.040911 0.085120
C -1.699013 0.136690 -0.460531
C 0.626857 -1.006167 -0.428966
C 1.273974 0.352982 -0.003812
C 2.794137 0.494312 -0.431151
C -1.072086 1.465382 0.016506
C 0.408761 1.572381 -0.437814
C -3.048324 -0.252693 0.218993
C -1.696061 -2.306194 -0.151570
C 1.446882 -2.188287 0.132768
C -3.166406 -1.798686 0.046496
C 3.557195 -0.766638 0.016300
C -1.865289 0.122399 -2.003136
C 2.927310 -2.108126 -0.309155
C 3.390942 1.753463 0.274549
C 2.949759 0.633331 -1.979732
C 4.932660 1.802685 0.276052
C 4.775115 -0.712406 0.646824
C 5.535452 0.532470 0.873114
C -6.417362 2.064549 -0.146882
H -0.766924 -0.892849 1.188875
H 0.620500 -1.085283 -1.536825
H 1.278661 0.342440 1.111869
H -1.120049 1.513806 1.124568
H -1.643509 2.331076 -0.370624
H 0.442832 1.684844 -1.538107
H 0.835284 2.501154 -0.016159
H -3.004720 0.023605 1.293348
H -1.440110 -3.119052 0.549852
H -1.545761 -2.699353 -1.174894
H 1.013705 -3.148911 -0.204371
H 1.391041 -2.177264 1.241006
H -3.797985 -2.022440 -0.831104
H -3.653050 -2.260844 0.922771
H -2.310544 -0.821037 -2.362854
H -2.537735 0.941784 -2.311245
H -0.901414 0.258285 -2.521758
H 2.969448 -2.265095 -1.408594
H 3.517402 -2.923202 0.147887
H 3.037927 1.764989 1.325909
H 2.999307 2.668712 -0.206730
H 2.481083 -0.206199 -2.522757
H 2.485915 1.569874 -2.336220
H 4.016599 0.656003 -2.265086
H 5.309482 2.673264 0.841508
H 5.321409 1.906135 -0.758039
H 5.270429 -1.635643 0.975487
H -6.440993 1.907845 -1.233063
H -7.419434 2.196738 0.283921
H -5.716559 2.854647 0.149886


