%chk=000229685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229685

0 1
S 4.406370 1.124662 -0.305672
S -4.405430 -1.122292 -0.309826
O 3.017750 0.159844 -0.271369
O -3.016786 -0.157721 -0.270094
O 4.445440 1.831290 0.947971
O 4.351266 1.871604 -1.535221
O -4.444801 -1.835713 0.939940
O -4.350105 -1.862547 -1.543415
C 7.876735 -0.965230 0.359103
C -7.877668 0.962064 0.362230
C 6.868081 0.206835 0.320339
C -6.868548 -0.209389 0.317516
C 5.567020 -0.176056 -0.385616
C -5.566029 0.178873 -0.382788
C 0.710480 -0.282309 -0.270179
C -0.709516 0.284412 -0.267755
C 1.745502 0.843477 -0.266877
C -1.744540 -0.841373 -0.270933
C 9.012623 -0.633681 1.334965
C 8.438683 -1.266667 -1.034795
C -9.015600 0.623366 1.333245
C -8.436631 1.273033 -1.030770
H 7.348185 -1.877530 0.733165
H -7.350236 1.871895 0.743807
H 7.339298 1.078173 -0.178602
H 6.650981 0.535649 1.361206
H -7.338369 -1.077329 -0.188621
H -6.653673 -0.545400 1.356540
H 5.782611 -0.464663 -1.439277
H 5.154002 -1.110079 0.060104
H -5.779376 0.475164 -1.434770
H -5.154124 1.109645 0.070671
H 0.878654 -0.936547 0.609807
H 0.877851 -0.930757 -1.154560
H -0.877607 0.938600 -1.147761
H -0.876969 0.932911 0.616607
H 1.681944 1.476148 -1.172697
H 1.686345 1.466497 0.645608
H -1.684706 -1.470239 0.637483
H -1.681661 -1.468219 -1.180847
H 9.739235 -1.452257 1.389996
H 8.637948 -0.463498 2.350452
H 9.561750 0.265118 1.032569
H 7.648391 -1.541717 -1.740728
H 9.151454 -2.098699 -1.003133
H 8.968531 -0.404066 -1.454778
H -9.742614 1.441302 1.392349
H -8.643119 0.446257 2.348355
H -9.563750 -0.273489 1.023394
H -7.644850 1.553076 -1.733064
H -9.149617 2.104708 -0.994915
H -8.965403 0.413264 -1.457860


%chk=000229685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229685

0 1
S 4.562045 1.211293 0.196999
S -4.557155 -1.210871 0.145286
O 3.083592 0.072170 0.411726
O -3.078535 -0.070663 0.351596
O 4.912577 1.951382 1.594813
O 4.333501 2.111011 -1.134223
O -4.893327 -1.950740 1.546769
O -4.338966 -2.110671 -1.187573
C 8.258613 -0.922160 0.037636
C -8.253789 0.927326 0.036567
C 7.232407 0.250052 0.085979
C -7.228164 -0.245490 0.083766
C 5.800139 -0.236397 -0.126465
C -5.800364 0.235292 -0.167623
C 0.713452 -0.306604 0.326030
C -0.708251 0.310051 0.341401
C 1.787360 0.789967 0.377057
C -1.782083 -0.786684 0.294382
C 9.669260 -0.376195 0.362359
C 8.252579 -1.653314 -1.326485
C -9.655800 0.392012 0.412349
C -8.283746 1.626478 -1.343889
H 7.980311 -1.651677 0.827616
H -7.953152 1.674423 0.801593
H 7.499404 0.998504 -0.685496
H 7.305050 0.748977 1.071574
H -7.512913 -1.006925 -0.668462
H -7.279675 -0.727245 1.079126
H 5.548027 -0.536328 -1.154473
H 5.473218 -0.994558 0.603464
H -5.570912 0.521656 -1.204781
H -5.455927 1.001966 0.545134
H 0.845714 -0.978736 1.194867
H 0.860634 -0.913636 -0.586980
H -0.844055 0.985868 -0.523968
H -0.852066 0.913143 1.257603
H 1.741570 1.437358 -0.520913
H 1.678610 1.410051 1.288047
H -1.690799 -1.467708 1.163128
H -1.718144 -1.371798 -0.643895
H 10.412749 -1.193957 0.375189
H 9.693952 0.122918 1.348440
H 9.989885 0.359524 -0.399722
H 7.282696 -2.140006 -1.538240
H 9.028662 -2.439689 -1.348408
H 8.466685 -0.945514 -2.150358
H -10.397889 1.211087 0.424043
H -9.654735 -0.081719 1.411175
H -9.997396 -0.362362 -0.321835
H -7.318762 2.104580 -1.594059
H -9.057988 2.414733 -1.362810
H -8.522697 0.900225 -2.144555


