%chk=000270109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270109

0 1
S -4.086945 0.520831 0.374752
O -4.343862 1.304766 1.568339
O -4.814774 0.834048 -0.845800
O 3.919779 0.539623 -0.928063
O 2.764783 0.044905 1.015085
O 5.814606 -1.680692 -1.471805
N -4.339705 -1.134244 0.819351
N 1.694848 0.670269 -0.996216
C -4.486116 -2.084170 -0.320534
C -5.391464 -1.347397 1.855670
C -5.888183 -2.046681 -0.952270
C -6.819185 -1.316406 1.283598
C -6.968529 -2.292549 0.108647
C -2.398737 0.542760 -0.001655
C -1.983876 0.905108 -1.288861
C -1.449272 0.226351 0.975383
C -0.630232 0.946475 -1.611469
C -0.087350 0.257680 0.677022
C 0.320890 0.619752 -0.618340
C 2.771537 0.380888 -0.139957
C 5.165104 0.423200 -0.280225
C 6.031350 -0.634100 -0.616182
C 5.557193 1.428180 0.615613
C 7.330237 -0.652422 -0.057601
C 6.836864 1.391882 1.161276
C 7.718621 0.352065 0.820131
C 4.482531 -1.864309 -2.013758
H -4.269743 -3.105893 0.068715
H -3.707090 -1.868663 -1.082439
H -5.274604 -0.576613 2.654265
H -5.192346 -2.332995 2.333857
H -5.961500 -2.796071 -1.759535
H -6.052934 -1.056370 -1.435559
H -7.075360 -0.289417 0.952542
H -7.545004 -1.561865 2.080592
H -6.908781 -3.335192 0.474916
H -7.971729 -2.182344 -0.345077
H -2.732373 1.161069 -2.051972
H -1.768187 -0.049339 1.987272
H -0.321215 1.233088 -2.613631
H 0.649107 0.008336 1.448970
H 1.918136 0.978068 -1.950134
H 4.855374 2.221387 0.872550
H 8.001632 -1.467443 -0.326564
H 7.155305 2.166986 1.855862
H 8.719615 0.331775 1.253535
H 4.628279 -2.734381 -2.666569
H 3.779138 -2.085859 -1.206455
H 4.180364 -0.979775 -2.584371


%chk=000270109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270109

0 1
S -4.164148 0.556564 0.573740
O -4.366592 1.195028 2.060402
O -4.932808 1.211412 -0.720764
O 3.980032 0.552447 -0.989621
O 2.902923 -0.026842 1.044364
O 5.863320 -1.694410 -1.507570
N -4.449837 -1.323179 0.811439
N 1.735261 0.682483 -0.898438
C -4.633976 -2.009953 -0.505979
C -5.560506 -1.554023 1.785740
C -6.048874 -1.891372 -1.121914
C -6.982184 -1.422529 1.193443
C -7.131559 -2.277717 -0.086839
C -2.336509 0.542140 0.137207
C -1.969202 0.957431 -1.152920
C -1.400234 0.178390 1.118648
C -0.599068 0.993387 -1.472554
C -0.028922 0.213938 0.797427
C 0.374439 0.620553 -0.505351
C 2.851457 0.366572 -0.139488
C 5.290564 0.496852 -0.406627
C 6.167642 -0.573091 -0.727922
C 5.722396 1.577363 0.389273
C 7.507254 -0.501181 -0.265957
C 7.049925 1.625740 0.859048
C 7.946238 0.584554 0.514939
C 4.495814 -2.247041 -1.491037
H -4.397960 -3.074312 -0.297531
H -3.859272 -1.639112 -1.202373
H -5.408194 -0.857005 2.628598
H -5.391113 -2.583459 2.163983
H -6.105925 -2.548974 -2.010898
H -6.208712 -0.851668 -1.462609
H -7.181468 -0.358490 0.958998
H -7.719389 -1.730524 1.959396
H -7.032911 -3.352920 0.173584
H -8.139334 -2.144300 -0.521849
H -2.739094 1.258833 -1.870651
H -1.730650 -0.121191 2.117591
H -0.285188 1.316294 -2.472403
H 0.724187 -0.061277 1.538187
H 1.940904 1.009861 -1.845620
H 5.013210 2.379064 0.620919
H 8.177028 -1.325112 -0.530284
H 7.381854 2.466545 1.475659
H 8.983782 0.613365 0.863964
H 4.605435 -3.272764 -1.875336
H 4.090816 -2.273558 -0.462255
H 3.825345 -1.668512 -2.148855


