%chk=000265651.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265651

0 1
S 0.221755 2.029637 0.435664
O 0.375513 2.881927 -0.719237
O 0.081257 2.634795 1.736783
C 1.390574 0.617860 0.440062
C 0.205495 -0.287348 0.212261
C -0.865585 0.684203 0.191633
C 2.423758 0.632789 -0.672967
C -0.027111 -1.617095 0.050922
C -2.164313 0.345395 0.026605
C -1.410389 -2.031044 -0.121909
C -2.462555 -1.071721 -0.125111
C 3.578910 1.543792 -0.345178
C 1.070694 -2.606972 0.053525
C -3.236668 1.365536 0.001919
C -1.734897 -3.410856 -0.281347
C -3.807433 -1.524897 -0.264298
C 3.520749 2.903650 -0.685568
C 4.718246 1.035353 0.295750
C 1.649210 -3.014428 -1.158505
C 1.540771 -3.130294 1.267405
C -3.042043 -3.816471 -0.425472
C -4.092698 -2.862996 -0.412806
C -3.526778 2.100312 1.161401
C -3.945542 1.613769 -1.183927
C 4.595925 3.744462 -0.389331
C 5.791556 1.881411 0.589247
C 2.695422 -3.940443 -1.151756
C 2.587183 -4.056590 1.265219
C -4.532403 3.070538 1.134635
C -4.945426 2.589097 -1.203966
C 5.733381 3.235882 0.246979
C 3.165586 -4.462075 0.058074
C -5.241961 3.315238 -0.045373
H 1.885563 0.442083 1.418271
H 1.960167 0.937569 -1.638215
H 2.786453 -0.405921 -0.845018
H -0.925497 -4.143674 -0.284336
H -4.615830 -0.790462 -0.244648
H 2.627833 3.307569 -1.175733
H 4.768876 -0.017472 0.565268
H 1.280264 -2.609377 -2.099551
H 1.089179 -2.814307 2.206567
H -3.286077 -4.871920 -0.547168
H -5.121137 -3.204927 -0.518860
H -2.963454 1.921489 2.079161
H -3.707205 1.054473 -2.088277
H 4.545013 4.799899 -0.653364
H 6.674430 1.483695 1.086115
H 3.145667 -4.256326 -2.091873
H 2.952656 -4.462989 2.207356
H -4.755862 3.642281 2.034963
H -5.490902 2.787579 -2.125521
H 6.569211 3.893012 0.476329
H 3.981034 -5.183031 0.059871
H -6.021264 4.075844 -0.064271


%chk=000265651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265651

0 1
S 0.055438 2.199524 0.514400
O 0.223105 3.117716 -0.828393
O -0.196000 2.933890 1.950434
C 1.355879 0.568287 0.499412
C 0.106739 -0.267343 0.280376
C -1.006898 0.615131 0.257442
C 2.369664 0.698585 -0.637023
C -0.080211 -1.631132 0.034458
C -2.331867 0.294053 0.011455
C -1.451205 -2.079939 -0.160766
C -2.567850 -1.136569 -0.158146
C 3.616463 1.480338 -0.245739
C 1.094845 -2.555627 -0.010883
C -3.385052 1.344564 -0.059780
C -1.744368 -3.477586 -0.302432
C -3.901266 -1.654313 -0.267416
C 3.614755 2.899609 -0.264679
C 4.787559 0.799204 0.174088
C 1.382434 -3.323346 -1.172185
C 1.979965 -2.640340 1.097021
C -3.054516 -3.941700 -0.433131
C -4.144193 -3.022027 -0.407695
C -3.410566 2.384680 0.910586
C -4.334537 1.370391 -1.118790
C 4.765002 3.619522 0.129832
C 5.938287 1.519331 0.567780
C 2.527483 -4.148064 -1.224587
C 3.121793 -3.469903 1.047161
C -4.375536 3.411025 0.831393
C -5.294154 2.401048 -1.196289
C 5.929118 2.933299 0.547608
C 3.401498 -4.225642 -0.115078
C -5.323355 3.421941 -0.217579
H 1.801242 0.534850 1.506779
H 1.864173 1.168676 -1.504093
H 2.646932 -0.329070 -0.946542
H -0.917224 -4.192313 -0.276459
H -4.741854 -0.958779 -0.203485
H 2.714099 3.433267 -0.593746
H 4.798384 -0.298606 0.185141
H 0.721029 -3.251443 -2.043106
H 1.759006 -2.071305 2.007413
H -3.248210 -5.015387 -0.528917
H -5.173172 -3.390724 -0.475803
H -2.680051 2.390424 1.727985
H -4.292489 0.608551 -1.904773
H 4.751929 4.715021 0.110285
H 6.838866 0.980975 0.884776
H 2.739690 -4.724531 -2.131747
H 3.787891 -3.529638 1.914954
H -4.380349 4.204318 1.586386
H -6.009519 2.414751 -2.025914
H 6.820315 3.494135 0.851348
H 4.288552 -4.867100 -0.156159
H -6.068392 4.222824 -0.278781


