%chk=000229742.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229742

0 1
S 2.120411 -2.133135 1.126234
O -2.551700 -0.650523 1.288205
O -3.663213 -2.881443 -0.914298
O -4.490992 -0.964680 0.046927
O -0.962023 -3.417342 1.282589
O 1.015971 -0.902183 0.788684
O -0.262023 1.535109 0.977085
O 1.544834 -3.327886 0.526171
O 2.345504 -2.084593 2.545701
O -1.660135 2.916014 2.100292
C -3.077464 -2.827026 0.392257
C -1.549174 -2.601703 0.276213
C -1.345470 -1.095477 0.602795
C -3.643690 -1.535206 1.042301
C -4.300789 -1.606781 -1.239570
C -0.188955 -0.796571 1.573709
C -5.668460 -1.914129 -1.809701
C -3.385547 -0.776157 -2.116825
C -0.228770 0.633632 2.123541
C 3.459591 -1.586469 0.225769
C -1.075871 2.647452 1.075837
C 3.666734 -2.050514 -1.080610
C 4.358118 -0.668189 0.789351
C -1.065446 3.397640 -0.203918
C 4.760051 -1.602578 -1.819659
C 5.451719 -0.217637 0.054707
C 5.661183 -0.680352 -1.258436
C -1.920464 4.504369 -0.328108
C -0.231811 3.021840 -1.267616
C 6.834611 -0.192827 -2.036715
C -1.937655 5.233505 -1.519277
C -0.253873 3.756862 -2.455157
C -1.105454 4.860387 -2.580421
H -3.332613 -3.781684 0.888472
H -1.163817 -2.870103 -0.727755
H -1.264239 -0.477932 -0.322842
H -4.228341 -1.560916 1.974389
H -0.182733 -1.529832 2.421433
H -5.616247 -2.200841 -2.865882
H -6.140161 -2.745735 -1.265757
H -6.333414 -1.044719 -1.714707
H -2.551327 -0.350231 -1.535878
H -2.960950 -1.378959 -2.927941
H -3.920678 0.072552 -2.560738
H -1.130183 0.794067 2.755586
H 0.691624 0.891726 2.674529
H -0.142184 -3.883932 0.924989
H 2.970773 -2.774357 -1.522130
H 4.205427 -0.307319 1.813327
H 4.915276 -1.969506 -2.833317
H 6.146990 0.494995 0.496916
H -2.565949 4.784533 0.509299
H 0.427792 2.156532 -1.156324
H 7.782149 -0.476893 -1.551825
H 6.870122 -0.588809 -3.061064
H 6.836866 0.905404 -2.118505
H -2.599935 6.092157 -1.620258
H 0.391883 3.470403 -3.283209
H -1.120782 5.431688 -3.508465


%chk=000229742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229742

0 1
S 2.215042 -2.049920 1.408859
O -2.707693 -1.053573 1.278664
O -3.324472 -2.560338 -1.383324
O -4.827687 -1.675129 0.225982
O -0.976831 -3.606576 1.259682
O 0.962928 -0.893220 0.661964
O -0.593601 1.517598 0.706301
O 1.783413 -3.573010 1.007320
O 2.410577 -1.666092 2.968022
O -0.813320 3.362385 2.110208
C -2.908120 -3.060652 -0.056608
C -1.413037 -2.763673 0.155579
C -1.442105 -1.251940 0.518584
C -3.654926 -2.136516 0.937987
C -4.546512 -1.707420 -1.237746
C -0.311902 -0.776152 1.441782
C -5.735053 -2.382618 -1.922118
C -4.231969 -0.301733 -1.758357
C -0.468160 0.662962 1.914662
C 3.680315 -1.539031 0.378593
C -0.774578 2.882204 0.950079
C 3.931497 -2.242597 -0.808635
C 4.475371 -0.480253 0.849038
C -0.910465 3.664064 -0.312905
C 5.056623 -1.851187 -1.567712
C 5.590804 -0.113465 0.069092
C 5.895446 -0.786215 -1.146577
C -1.144601 5.059769 -0.207588
C -0.815068 3.056345 -1.592067
C 7.101953 -0.373124 -1.967224
C -1.284684 5.841709 -1.372224
C -0.954960 3.843505 -2.754698
C -1.190657 5.235125 -2.647867
H -3.137291 -4.132092 0.058853
H -0.831630 -2.944405 -0.766503
H -1.460124 -0.644681 -0.405195
H -4.007797 -2.576472 1.880382
H -0.284605 -1.430878 2.335531
H -5.566135 -2.434362 -3.011327
H -5.865338 -3.405068 -1.531436
H -6.657867 -1.808278 -1.730623
H -3.443841 0.166653 -1.147102
H -3.898632 -0.354659 -2.809462
H -5.134878 0.330274 -1.702672
H -1.383659 0.762601 2.523500
H 0.405294 0.988736 2.505174
H 0.009558 -3.779275 1.191901
H 3.287310 -3.071358 -1.117195
H 4.240531 0.025660 1.790578
H 5.282113 -2.381586 -2.499068
H 6.231884 0.707980 0.408230
H -1.214842 5.505173 0.790345
H -0.628685 1.980898 -1.660679
H 8.037492 -0.507541 -1.393015
H 7.186753 -0.964008 -2.894078
H 7.045587 0.694576 -2.248487
H -1.467669 6.918386 -1.288758
H -0.881287 3.375132 -3.742259
H -1.300712 5.843061 -3.552989


