%chk=000229558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229558

0 1
S 5.087214 -0.431534 0.058287
O 5.120161 -1.038780 1.377015
O 5.143949 -1.291339 -1.110653
O -10.060906 -0.634561 -0.317655
O -9.191902 1.357003 0.208270
C 1.101108 0.514373 -0.065965
C -0.138992 -0.385251 0.025515
C 2.391690 -0.311968 0.030070
C -1.433237 0.433379 -0.071700
C 3.637026 0.575200 -0.058109
C -2.672371 -0.467273 0.022368
C -3.966965 0.350595 -0.076690
C 6.396216 0.752113 -0.049236
C -5.206053 -0.549830 0.020411
C 7.745304 0.031218 0.030657
C -6.495820 0.272653 -0.079767
C 8.919920 1.017138 -0.059315
C -7.734680 -0.624701 0.013222
C 10.260704 0.291821 0.020935
C -8.993939 0.185357 -0.004765
H 1.084616 1.081702 -1.016385
H 1.075805 1.272281 0.740497
H -0.123234 -0.953582 0.976167
H -0.113215 -1.146099 -0.779099
H 2.399270 -0.881747 0.984925
H 2.409080 -1.071387 -0.781912
H -1.459409 1.194067 0.732420
H -1.450766 0.999125 -1.023272
H 3.599136 1.337773 0.743279
H 3.609416 1.149748 -1.003853
H -2.654948 -1.032378 0.974507
H -2.645170 -1.229483 -0.780413
H -3.983911 0.914556 -1.029608
H -3.992192 1.114241 0.725120
H 6.349537 1.334240 -0.989611
H 6.337716 1.505832 0.759430
H -5.179010 -1.313698 -0.781062
H -5.186927 -1.112178 0.974373
H 7.825974 -0.717598 -0.787055
H 7.814738 -0.542821 0.980118
H -6.514432 0.842191 -1.030858
H -6.528015 1.039347 0.722602
H 8.850150 1.764505 0.755036
H 8.861384 1.590528 -1.005030
H -7.712507 -1.233227 0.945367
H -7.750231 -1.370114 -0.812939
H 10.379479 -0.432433 -0.793893
H 11.097507 0.996519 -0.043475
H 10.368346 -0.258582 0.963309
H -10.927814 -0.150343 -0.331279


%chk=000229558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229558

0 1
S 5.191178 -0.402764 0.116587
O 5.360826 -0.978871 1.643263
O 5.095396 -1.429631 -1.159049
O -10.309503 -0.830637 -0.112535
O -9.389664 1.299632 -0.170163
C 1.049293 0.612978 0.047809
C -0.198664 -0.299593 0.040642
C 2.365601 -0.203665 0.089926
C -1.526695 0.489275 0.004959
C 3.590956 0.709916 0.093221
C -2.773533 -0.423645 -0.004820
C -4.104224 0.361075 -0.036076
C 6.683970 0.802938 -0.221742
C -5.349882 -0.553093 -0.046971
C 7.987687 0.039536 0.012530
C -6.675492 0.238622 -0.077501
C 9.223127 0.951499 -0.200674
C -7.905227 -0.688785 -0.088116
C 10.544256 0.188359 0.037450
C -9.221694 0.061494 -0.127594
H 1.037406 1.257671 -0.855314
H 1.001851 1.292498 0.923599
H -0.181491 -0.949265 0.939872
H -0.150200 -0.978601 -0.835459
H 2.379470 -0.839973 0.995842
H 2.417435 -0.878667 -0.785751
H -1.575722 1.166581 0.883188
H -1.543684 1.141807 -0.893018
H 3.689355 1.325943 1.002240
H 3.687185 1.316507 -0.823605
H -2.754789 -1.078422 0.891413
H -2.725538 -1.099530 -0.884162
H -4.123120 1.016575 -0.931614
H -4.152848 1.036080 0.843738
H 6.531405 1.121314 -1.266279
H 6.532082 1.636161 0.485766
H -5.299652 -1.227504 -0.927662
H -5.328796 -1.208965 0.848712
H 8.039031 -0.823873 -0.678430
H 7.993396 -0.364309 1.043153
H -6.702018 0.894432 -0.968784
H -6.731075 0.912994 0.798605
H 9.166351 1.819705 0.486611
H 9.210646 1.360400 -1.231015
H -7.916806 -1.347412 0.802591
H -7.880671 -1.372307 -0.960016
H 10.636771 -0.668773 -0.654884
H 11.418908 0.845684 -0.117422
H 10.593540 -0.205908 1.069242
H -11.157336 -0.308884 -0.141998


