%chk=000255502.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255502

0 1
S -4.014936 0.773586 -0.392620
O -1.905980 2.926830 -0.500326
O -2.292897 -1.510232 -1.723519
O 3.029037 3.563719 0.155714
O 2.212843 -1.835714 0.502074
O 3.798729 1.537281 -0.513100
O 2.189718 -4.098814 0.278094
N -0.564554 1.532008 0.800510
N -1.871907 -1.964791 0.525371
N 0.595459 2.012848 0.259095
N -0.560228 -2.217608 0.249030
C -3.001335 1.373864 0.998538
C -4.052623 -1.030500 -0.122494
C -3.794083 2.411300 1.768171
C -5.147782 -1.573222 -1.020141
C -1.807710 2.040099 0.304319
C -2.688302 -1.518077 -0.593222
C 1.746545 1.688657 0.771526
C 0.203282 -2.918638 1.031585
C 2.057032 0.828789 1.951093
C -0.100538 -3.632538 2.305337
C 2.956881 2.208685 0.040740
C 1.628644 -3.066174 0.547353
C 4.103285 4.258949 -0.564589
C 3.570709 -1.716166 -0.051207
C 3.753503 4.340801 -2.033946
C 4.585529 -2.211290 0.954364
H -2.706890 0.536789 1.669275
H -4.273961 -1.265707 0.941949
H -4.082061 3.265340 1.130695
H -3.212385 2.826667 2.603232
H -4.721455 1.995682 2.183994
H -4.943061 -1.377593 -2.088024
H -6.126389 -1.126357 -0.791722
H -5.254183 -2.661787 -0.915799
H -0.550007 0.698398 1.400782
H -2.326660 -2.372977 1.351036
H 1.804168 -0.230153 1.742071
H 1.510599 1.153788 2.845931
H 3.126327 0.834439 2.209062
H 0.565796 -4.503443 2.445556
H -1.123091 -4.030857 2.335332
H 0.041196 -2.977521 3.176954
H 5.053448 3.730339 -0.375754
H 4.083518 5.239183 -0.053571
H 3.615828 -0.617739 -0.232086
H 3.602095 -2.268693 -1.005477
H 4.415274 5.029120 -2.571141
H 2.719005 4.686672 -2.179375
H 3.827801 3.356911 -2.521239
H 5.608307 -2.001367 0.614551
H 4.504744 -3.298686 1.102459
H 4.458019 -1.733804 1.932559


%chk=000255502-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255502

0 1
S -3.294020 1.170908 0.003592
O -1.665302 4.278089 1.342408
O -0.636500 -0.347019 0.222713
O 2.517581 5.105280 -0.753046
O 2.261215 -3.996152 1.161336
O 3.682117 3.414725 -1.862571
O 1.406369 -6.057884 1.847812
N -0.376660 2.538084 0.400640
N -1.460654 -2.442832 0.833021
N 0.613555 3.391155 -0.033816
N -0.196224 -2.990288 0.968536
C -2.468750 1.964156 1.561691
C -3.100266 -0.672585 0.374504
C -3.525983 2.519101 2.520356
C -3.867054 -1.425848 -0.742655
C -1.481960 3.061760 1.092639
C -1.615301 -1.099376 0.453076
C 1.624932 2.857837 -0.701566
C -0.131756 -4.261968 1.320650
C 1.797490 1.394455 -1.050384
C -1.308689 -5.178324 1.589222
C 2.698642 3.793975 -1.166947
C 1.238034 -4.865145 1.475071
C 3.538675 6.090157 -1.221320
C 3.656636 -4.522232 1.318559
C 3.178969 6.622152 -2.612025
C 4.139132 -4.342564 2.759975
H -1.893307 1.141258 2.022874
H -3.579650 -0.868450 1.353733
H -4.092636 3.334685 2.043210
H -3.039201 2.939587 3.419146
H -4.228695 1.725780 2.828703
H -3.404851 -1.237416 -1.726929
H -4.913096 -1.077782 -0.779016
H -3.879051 -2.518267 -0.571868
H -0.369846 1.515534 0.206074
H -2.306197 -3.006537 1.003481
H 0.953346 1.022817 -1.662362
H 1.836420 0.757933 -0.146267
H 2.729481 1.261749 -1.618703
H -0.933361 -6.171313 1.877479
H -1.944462 -5.299785 0.689462
H -1.944742 -4.800514 2.414558
H 4.530671 5.604321 -1.221480
H 3.497717 6.879726 -0.454231
H 4.234234 -3.911544 0.607458
H 3.669593 -5.583881 1.015455
H 3.885980 7.422470 -2.900499
H 2.158575 7.042223 -2.616438
H 3.239792 5.819485 -3.365974
H 5.200853 -4.642478 2.833765
H 3.555837 -4.971236 3.453423
H 4.056672 -3.287687 3.072474


