%chk=000269903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269903

0 1
S -1.613730 2.398576 0.569718
O 0.866298 2.306652 1.154117
O 1.996973 1.919055 -1.128202
O 2.898278 -1.064630 0.830868
O 3.964967 0.346796 -2.026702
O 5.646934 -0.971187 0.974841
O -0.343392 -1.289473 -1.622217
O -3.346014 -3.846766 0.685891
N -1.406418 -0.302043 0.180788
N -1.879273 -2.570928 -0.473303
C 1.796267 0.686431 -0.433659
C 0.679439 1.020945 0.588593
C 3.094385 0.243546 0.279050
C -0.705561 0.974130 -0.106616
C 4.338212 0.302876 -0.641603
C 5.329193 -0.855047 -0.407072
C -2.196775 -0.480168 1.332704
C -1.154232 -1.390629 -0.713182
C -3.100061 2.429606 -0.498932
C -2.860032 -1.642745 1.567094
C -2.779166 -2.778653 0.640643
C -3.932139 3.593322 -0.005887
C -3.695773 -1.840169 2.785553
H 0.726170 0.337127 1.473452
H 1.457688 -0.095950 -1.158963
H 3.282266 0.855717 1.199550
H -0.604417 1.076959 -1.224415
H 4.844640 1.293232 -0.513001
H 6.308060 -0.641835 -0.882591
H 4.939728 -1.813387 -0.791994
H 1.130839 2.965961 0.449675
H 2.644517 1.787112 -1.878996
H -2.254477 0.369306 2.033600
H 2.609620 -1.706389 0.147564
H -2.804599 2.560319 -1.556332
H -3.649362 1.473585 -0.424581
H 3.617149 -0.514596 -2.338875
H -1.750806 -3.344524 -1.142635
H -4.239764 3.476704 1.042823
H -3.399287 4.552302 -0.084189
H -4.853209 3.693782 -0.598376
H -4.369781 -2.707920 2.676974
H -4.327197 -0.968522 3.003319
H -3.071795 -2.034323 3.670951
H 4.844539 -1.272258 1.482256


%chk=000269903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269903

0 1
S -1.741666 2.626170 0.659281
O 1.141490 2.448446 1.131940
O 1.974456 1.711150 -1.275512
O 2.804153 -1.245757 0.902341
O 3.938298 0.035559 -2.015803
O 5.538297 -0.901580 1.282339
O -0.970470 -0.704587 -2.113667
O -3.304505 -3.751643 0.553502
N -1.400702 -0.118021 0.135193
N -2.162077 -2.174677 -0.734252
C 1.725547 0.595827 -0.357325
C 0.690945 1.153295 0.650656
C 3.022163 0.114233 0.343636
C -0.714494 1.196315 -0.030725
C 4.272509 0.200993 -0.574722
C 5.379069 -0.804759 -0.162213
C -1.930143 -0.487063 1.378154
C -1.479768 -0.976890 -0.987416
C -3.233823 2.426209 -0.508189
C -2.574360 -1.679424 1.611671
C -2.730256 -2.626117 0.496470
C -4.218790 3.577396 -0.260676
C -3.143718 -2.064842 2.954107
H 0.646743 0.507803 1.545525
H 1.284643 -0.258972 -0.918211
H 3.222129 0.727936 1.237588
H -0.606299 1.355004 -1.116445
H 4.649648 1.234954 -0.518979
H 6.353185 -0.476327 -0.557131
H 5.139769 -1.800750 -0.608005
H 1.433587 2.963758 0.330638
H 2.570526 1.358436 -1.996225
H -1.823219 0.274999 2.155672
H 2.403739 -1.836751 0.214212
H -2.847762 2.437978 -1.542240
H -3.702332 1.447232 -0.308099
H 3.951013 -0.921083 -2.271481
H -2.252674 -2.808216 -1.535295
H -4.588092 3.575396 0.780473
H -3.748359 4.556679 -0.457910
H -5.092017 3.475960 -0.930925
H -4.226961 -2.268378 2.875512
H -2.984743 -1.269780 3.702067
H -2.679072 -2.997058 3.323539
H 4.693293 -1.297153 1.634630


