%chk=000263451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263451

0 1
S -0.533470 -5.047426 -1.244499
O -0.369914 -4.061322 1.689163
O 1.232173 -2.645638 2.348353
O -1.339277 1.720768 3.007907
O 0.045707 -0.339030 -2.536131
O 0.331868 1.770188 1.632301
O 0.433021 1.771028 -2.807122
O -5.915307 0.943162 -1.187465
O 5.583792 2.185000 0.730871
O -5.469577 2.421497 0.333571
O 4.896671 2.996962 -1.157018
N 0.007434 -0.843393 0.328817
N -0.817425 1.504731 1.934319
N 0.569222 0.719860 -2.217751
N -5.184219 1.470101 -0.369485
N 4.780991 2.281552 -0.178760
C 0.057088 -2.326161 0.154587
C 1.044313 -2.799990 -0.924685
C -1.256596 -0.203350 0.084388
C 1.228619 -0.096577 0.109467
C 1.120813 -4.313212 -1.045162
C 0.420730 -2.944652 1.511852
C -1.671481 0.888518 0.887060
C 1.463933 0.699745 -1.040755
C -2.152078 -0.706766 -0.885310
C 2.217937 -0.164499 1.110486
C -2.960158 1.426384 0.746855
C 2.610976 1.507822 -1.115987
C -3.420446 -0.165885 -1.042362
C 3.372140 0.602648 1.019502
C -3.824386 0.899149 -0.214502
C 3.559644 1.444819 -0.094379
H -0.983197 -2.696679 -0.112202
H 0.734267 -2.349055 -1.901738
H 2.063739 -2.400541 -0.730447
H 1.704990 -4.596398 -1.947911
H 1.647807 -4.771916 -0.187709
H -1.825860 -1.510645 -1.561286
H 2.052868 -0.798576 1.999146
H -3.293362 2.255693 1.394943
H 2.765672 2.178721 -1.978896
H -4.109257 -0.551838 -1.808324
H 4.133818 0.571487 1.812355
H -0.845718 -5.251976 0.058768
H -0.210105 -4.513610 2.566374


%chk=000263451-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000263451

0 1
S -0.506389 -5.051881 -1.752477
O -0.904021 -2.685853 2.224136
O 1.378410 -3.120999 2.231318
O -0.790612 2.474577 2.143668
O -0.174061 0.234990 -2.671697
O 0.114931 0.403470 2.431966
O 0.050069 2.481263 -2.342279
O -5.967249 0.823792 -1.108479
O 5.647024 2.234497 0.665781
O -5.357322 2.402144 0.426830
O 4.594379 3.594816 -0.838784
N 0.116818 -0.965731 -0.063565
N -0.676520 1.230458 1.830688
N 0.323041 1.255427 -2.052808
N -5.116179 1.368689 -0.305905
N 4.650325 2.541457 -0.095483
C 0.228828 -2.444645 0.114534
C 1.334126 -3.096147 -0.733441
C -1.192196 -0.403047 -0.068508
C 1.264802 -0.140582 -0.124372
C 1.137777 -4.617948 -0.876793
C 0.341341 -2.789637 1.617978
C -1.557732 0.708518 0.753245
C 1.326587 1.003955 -0.987924
C -2.181847 -0.929242 -0.943560
C 2.401606 -0.395431 0.696433
C -2.826819 1.311836 0.662006
C 2.408457 1.902807 -0.959468
C -3.464694 -0.370751 -1.017031
C 3.510967 0.459870 0.695364
C -3.767290 0.756887 -0.219209
C 3.494537 1.616132 -0.117577
H -0.734677 -2.869336 -0.220863
H 1.324475 -2.621325 -1.732003
H 2.332061 -2.926226 -0.290401
H 1.935630 -5.043546 -1.504004
H 1.154769 -5.128598 0.099233
H -1.910571 -1.747526 -1.616616
H 2.387607 -1.239292 1.389190
H -3.081754 2.173254 1.284805
H 2.418913 2.784477 -1.605756
H -4.219591 -0.759973 -1.704563
H 4.371297 0.272010 1.342645
H -1.096972 -5.722836 -0.695046
H -0.823881 -2.804074 3.209994


