%chk=000191285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191285

0 1
S 4.428259 -1.878627 0.775295
O -2.644465 -0.083278 1.068734
O -3.181716 -1.641432 -0.562142
O -3.829005 2.015973 -1.396434
C -0.858984 0.972424 -0.267425
C -0.195443 -0.382239 -0.677402
C 1.292912 -0.195329 -0.995334
C 1.988682 0.310160 0.300838
C -2.365562 0.559816 -0.186390
C 3.512588 0.547391 0.070842
C -1.137238 -0.965044 -1.742819
C -0.222048 1.414902 1.056764
C -2.545730 -0.559231 -1.266691
C 1.298695 1.563597 0.885957
C 1.932379 -1.520194 -1.442462
C 4.186964 -0.680291 -0.593734
C 3.423421 -1.334581 -1.733853
C -0.721256 2.064673 -1.336618
C 4.227859 0.712355 1.445653
C 3.771518 1.786404 -0.800523
C -3.359970 1.728679 -0.318395
C -3.095545 -1.458180 0.867448
C 4.392471 -0.641449 2.122531
C -3.683197 2.457512 0.944339
C -4.494341 -1.588466 1.437283
C -2.053954 -2.388533 1.457890
H -0.261572 -1.073260 0.216531
H 1.415862 0.561852 -1.804943
H 1.888709 -0.506293 1.062114
H -0.926447 -0.565097 -2.747780
H -1.055240 -2.063565 -1.814572
H -0.461728 0.674707 1.847466
H -0.657039 2.368208 1.405463
H -3.246928 -0.305953 -2.085104
H 1.504519 2.442155 0.242883
H 1.752195 1.797371 1.869610
H 1.420872 -1.905115 -2.344294
H 1.794474 -2.295191 -0.661955
H 5.204975 -0.395582 -0.954584
H 3.878060 -2.315106 -1.986563
H 3.545730 -0.712254 -2.646137
H 0.323514 2.181283 -1.651733
H -1.303195 1.838867 -2.239640
H -1.058441 3.039742 -0.969771
H 3.662253 1.410152 2.092182
H 5.217416 1.186380 1.295092
H 4.839710 1.943934 -0.983304
H 3.282761 1.689330 -1.777202
H 3.384864 2.698665 -0.332034
H 5.325556 -0.710424 2.706685
H 3.556906 -0.878781 2.803328
H -3.822643 1.753110 1.783597
H -2.866096 3.132255 1.234287
H -4.594063 3.062962 0.842937
H -4.529904 -1.262026 2.482899
H -5.206669 -0.972866 0.870252
H -4.851433 -2.624272 1.383994
H -2.048594 -2.353010 2.552127
H -2.229037 -3.424586 1.143647
H -1.042142 -2.103904 1.111068


%chk=000191285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191285

0 1
S 4.455981 -1.937983 0.804667
O -2.402235 -0.320670 1.230673
O -2.748639 -1.969225 -0.393758
O -3.980723 1.742457 -1.229184
C -0.834507 0.958325 -0.245336
C -0.109989 -0.334379 -0.750052
C 1.382336 -0.124187 -1.078165
C 2.097916 0.400875 0.212320
C -2.308759 0.401655 -0.061222
C 3.643905 0.615954 0.011390
C -1.068783 -0.892401 -1.825253
C -0.134175 1.429320 1.050910
C -2.454237 -0.727096 -1.159993
C 1.382270 1.650865 0.798920
C 2.041997 -1.436807 -1.562520
C 4.295990 -0.654547 -0.621084
C 3.547854 -1.248800 -1.827642
C -0.849770 2.094554 -1.305173
C 4.373726 0.759663 1.382518
C 3.957857 1.847523 -0.879821
C -3.397406 1.494383 -0.137786
C -3.141534 -1.591252 0.974997
C 4.320921 -0.584206 2.138147
C -3.696082 2.277911 1.128097
C -4.661989 -1.369138 1.065422
C -2.608630 -2.643583 1.941984
H -0.148240 -1.052293 0.099558
H 1.477029 0.629692 -1.889627
H 1.986330 -0.419655 0.954479
H -1.012458 -0.314082 -2.766338
H -0.896411 -1.955168 -2.062450
H -0.281640 0.661699 1.833055
H -0.579188 2.371855 1.428581
H -3.278590 -0.518123 -1.861961
H 1.516107 2.514944 0.120194
H 1.854661 1.936319 1.758627
H 1.547504 -1.792986 -2.486377
H 1.899470 -2.219529 -0.790835
H 5.335410 -0.413428 -0.913057
H 4.013729 -2.208783 -2.121507
H 3.688902 -0.559543 -2.687126
H 0.170523 2.338978 -1.642819
H -1.448152 1.838199 -2.195528
H -1.284718 3.018646 -0.880404
H 3.941687 1.572201 1.995473
H 5.430844 1.026015 1.185031
H 5.041832 1.902225 -1.094512
H 3.426413 1.806656 -1.847474
H 3.673464 2.790345 -0.379603
H 5.160930 -0.704370 2.840199
H 3.370346 -0.724544 2.678946
H -3.744718 1.607654 2.001690
H -2.869663 2.991177 1.319685
H -4.630394 2.848156 1.007587
H -4.940350 -1.010835 2.072085
H -5.002409 -0.632692 0.316916
H -5.187753 -2.319499 0.869397
H -2.846940 -2.366432 2.982945
H -3.066624 -3.622420 1.720943
H -1.515729 -2.728893 1.831069


