%chk=000224705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224705

0 1
S -6.439807 1.420702 -0.001549
S 6.441752 1.412436 0.002459
O -4.876968 0.782058 -0.004478
O 4.878097 0.775801 -0.001451
O -6.578149 2.137713 -1.246196
O -6.577883 2.126917 1.249291
O 6.580566 2.116969 1.254159
O 6.581180 2.130766 -1.241314
C 0.000629 0.871181 -0.003151
C -1.266144 1.737373 0.000417
C 1.268506 1.735745 0.001682
C -2.528847 0.869953 -0.003805
C 2.530095 0.866710 -0.002173
C -3.789586 1.734766 -0.000073
C 3.791936 1.729901 0.003119
C -7.337135 -0.037258 -0.007756
C 7.337212 -0.046664 -0.005391
C -7.704739 -0.629826 -1.222628
C 7.703618 -0.651649 1.203708
C -7.705009 -0.639971 1.202025
C 7.704754 -0.637894 -1.220927
C -8.800790 -2.428520 -0.017922
C 8.797806 -2.439784 -0.018285
C -8.433190 -1.818263 -1.230731
C 8.430548 -1.841041 1.200350
C -8.433468 -1.828438 1.200023
C 8.431692 -1.827254 -1.230386
C -9.590940 -3.693131 -0.023383
C 9.586338 -3.705398 -0.025040
H 0.000636 0.207219 -0.889644
H -0.000230 0.198628 0.876837
H -1.265199 2.401049 0.887536
H -1.264738 2.408966 -0.880728
H 1.267829 2.398953 0.889152
H 1.268543 2.407802 -0.879108
H -2.545669 0.192803 0.873752
H -2.545318 0.200893 -0.887552
H 2.546388 0.198244 -0.886373
H 2.545370 0.188925 0.874922
H -3.871174 2.356422 0.911405
H -3.870969 2.364560 -0.905963
H 3.873761 2.350623 0.915210
H 3.874683 2.360416 -0.902149
H -7.425651 -0.155405 -2.171078
H 7.424794 -0.186243 2.156691
H -7.426128 -0.173506 2.154477
H 7.426814 -0.161705 -2.168832
H -8.717979 -2.272872 -2.178000
H 8.714411 -2.305328 2.143194
H -8.718460 -2.290942 2.143402
H 8.716437 -2.280803 -2.178177
H -9.388693 -4.313772 -0.907819
H -10.671374 -3.475994 -0.024987
H -9.392415 -4.319252 0.858013
H 9.386757 -4.322858 -0.912291
H 9.383553 -4.334159 0.853514
H 10.667050 -3.489666 -0.021698


%chk=000224705-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224705

0 1
S -6.631204 1.501442 0.003454
S 6.633317 1.493033 0.002800
O -4.970493 0.648880 -0.004990
O 4.971491 0.642626 -0.004704
O -6.806251 2.302493 -1.396868
O -6.801304 2.283307 1.415159
O 6.804666 2.275803 1.413848
O 6.809185 2.292725 -1.398199
C 0.000586 0.755974 -0.004749
C -1.286974 1.610752 -0.002683
C 1.289200 1.609165 -0.002778
C -2.569213 0.742514 -0.004811
C 2.570356 0.739333 -0.004671
C -3.836121 1.608908 -0.001244
C 3.838363 1.604122 -0.001518
C -7.673926 -0.052583 -0.005248
C 7.674011 -0.062358 -0.004847
C -8.051962 -0.586594 -1.246454
C 8.045887 -0.613489 1.230725
C -8.046572 -0.604015 1.229946
C 8.051378 -0.597665 -1.245686
C -9.258712 -2.354221 -0.017994
C 9.255739 -2.366105 -0.016054
C -8.852298 -1.749662 -1.237525
C 8.844706 -1.777440 1.209689
C -8.846942 -1.766903 1.208132
C 8.850173 -1.761804 -1.235979
C -10.143443 -3.586999 -0.024726
C 10.138849 -3.600047 -0.021862
H 0.000151 0.093545 -0.894737
H 0.000208 0.089468 0.882187
H -1.286889 2.272340 0.887798
H -1.286914 2.276705 -0.889896
H 1.289885 2.270924 0.887576
H 1.289998 2.274947 -0.890120
H -2.580748 0.083424 0.883870
H -2.581695 0.089242 -0.897774
H 2.581965 0.085709 -0.897388
H 2.581127 0.080562 0.884257
H -3.885100 2.241191 0.906843
H -3.885409 2.248528 -0.904135
H 3.888130 2.236832 0.906227
H 3.888501 2.243190 -0.904754
H -7.742544 -0.104159 -2.178700
H 7.733069 -0.143208 2.168033
H -7.733158 -0.134758 2.167569
H 7.742626 -0.115425 -2.178255
H -9.162917 -2.193479 -2.190084
H 9.150498 -2.234446 2.157558
H -9.153372 -2.224108 2.155695
H 9.160234 -2.206641 -2.188241
H -9.971056 -4.205453 -0.922282
H -11.213085 -3.301123 -0.022684
H -9.970296 -4.215713 0.865502
H 9.968178 -4.217167 -0.920648
H 9.962366 -4.229628 0.867112
H 11.208859 -3.315592 -0.016395


