%chk=000218475.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218475

0 1
S -0.000065 3.064334 0.000206
O -2.425060 2.160878 0.200166
O 2.424726 2.160771 -0.199767
C -3.753073 -1.214320 0.326574
C 3.752551 -1.214523 -0.325597
C -4.840158 -1.148818 -0.589631
C 4.839985 -1.148775 0.590175
C -3.254660 1.109998 -0.123995
C 3.254399 1.109956 0.124426
C -2.955785 -0.060398 0.552366
C 2.955221 -0.060641 -0.551452
C -2.566233 3.413939 -0.536899
C 2.566179 3.414039 0.536893
C -1.405664 4.232087 -0.000493
C 1.405519 4.232108 0.000571
C -5.108108 0.079373 -1.266856
C 5.108235 0.079617 1.266917
C -4.338094 1.196393 -1.047677
C 4.338180 1.196598 1.047677
C -3.487138 -2.452666 1.001809
C 3.486311 -2.453072 -1.000341
C -5.638297 -2.316862 -0.811237
C 5.638166 -2.316778 0.811843
C -4.269768 -3.552531 0.767250
C 4.268989 -3.552893 -0.765734
C -5.361422 -3.486105 -0.151203
C 5.360997 -3.486218 0.152281
H -2.116061 -0.092952 1.243766
H 2.115236 -0.093381 -1.242525
H -2.484733 3.208159 -1.619821
H -3.549152 3.855589 -0.296606
H 3.549059 3.855561 0.296206
H 2.484952 3.208578 1.619895
H -1.210101 5.114493 -0.631494
H -1.596915 4.584875 1.029762
H 1.210018 5.114562 0.631527
H 1.596616 4.584818 -1.029736
H -5.942774 0.117287 -1.967965
H 5.943166 0.117719 1.967701
H -4.550522 2.124978 -1.565649
H 4.550836 2.125336 1.565283
H -2.651728 -2.493419 1.698916
H 2.650633 -2.494014 -1.697116
H -6.467618 -2.254968 -1.514311
H 6.467759 -2.254694 1.514580
H -4.074268 -4.496036 1.275313
H 4.073261 -4.496550 -1.273425
H -5.962157 -4.378173 -0.313243
H 5.961761 -4.378257 0.314372


%chk=000218475-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218475

0 1
S -0.000113 1.910411 0.000200
O -3.142298 1.512423 0.278216
O 3.142052 1.512214 -0.277905
C -5.886325 -0.963012 0.581671
C 5.885966 -0.963410 -0.580847
C -6.662829 -0.708637 -0.617986
C 6.662539 -0.708753 0.618705
C -4.307333 0.802688 -0.067855
C 4.307075 0.802522 0.068295
C -4.710743 -0.191399 0.831555
C 4.710402 -0.191816 -0.830874
C -2.677458 2.560972 -0.641835
C 2.677303 2.561023 0.641894
C -1.418702 3.170455 -0.039152
C 1.418538 3.170399 0.039121
C -6.217424 0.312516 -1.516105
C 6.217218 0.312650 1.516579
C -5.065860 1.059158 -1.258265
C 5.065672 1.059272 1.258602
C -6.330004 -1.989545 1.484714
C 6.329560 -1.990197 -1.483645
C -7.844140 -1.483594 -0.865836
C 7.843832 -1.483692 0.866698
C -7.484334 -2.726826 1.215796
C 7.483874 -2.727454 -1.214590
C -8.250407 -2.473454 0.030862
C 8.250015 -2.473803 -0.029760
H -4.109571 -0.368304 1.729413
H 4.109179 -0.368930 -1.728657
H -2.462473 2.129144 -1.640289
H -3.459927 3.343203 -0.743471
H 3.459808 3.343250 0.743280
H 2.462357 2.129468 1.640475
H -1.096227 4.015504 -0.673639
H -1.613884 3.530252 0.985257
H 1.096144 4.015637 0.673397
H 1.613673 3.529904 -0.985400
H -6.797312 0.507708 -2.426144
H 6.797157 0.508056 2.426540
H -4.752975 1.830575 -1.967874
H 4.752854 1.830883 1.968028
H -5.745527 -2.185779 2.391445
H 5.745032 -2.186644 -2.390296
H -8.426000 -1.286477 -1.774609
H 8.425744 -1.286362 1.775392
H -7.811784 -3.506763 1.912416
H 7.811258 -3.507586 -1.911022
H -9.153746 -3.061256 -0.165431
H 9.153341 -3.061590 0.166642


