%chk=000291695.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291695

0 1
S 1.092787 -1.456379 -1.098404
S -4.017072 1.228137 0.513085
O 0.582284 1.134102 1.355821
O -1.102292 -1.470531 2.168197
O -1.908988 0.563448 -0.968660
O 4.261972 -0.374304 1.131268
O -1.644276 -3.395265 1.113939
O 5.150016 1.772002 -2.806603
O -0.639821 1.501027 -2.586669
O -3.373718 1.331678 3.057563
N 2.481454 0.631046 0.050983
N 4.712761 0.730834 -0.847092
C -0.693391 -0.862291 0.902862
C -0.777887 0.651688 1.178103
C 0.787789 -1.165396 0.665188
C 1.554155 0.105082 1.090333
C -1.380089 1.489499 0.029512
C -2.572972 2.327844 0.448387
C 2.019228 1.388767 -1.043484
C 3.865379 0.275134 0.180176
C 0.447877 -3.154541 -1.332932
C -1.577200 -2.768080 2.145012
C 2.857509 1.812701 -2.023404
C 0.203464 -3.306020 -2.817166
C 4.288978 1.490863 -2.001919
C -1.432257 0.645203 -2.269366
C -1.937260 -3.168960 3.528715
C 2.370873 2.625316 -3.173847
C -4.188276 0.914217 2.284060
C -2.069652 -0.420764 -3.078704
C -5.402094 0.113466 2.567863
H -1.385701 -1.219818 0.103757
H -1.266932 0.864845 2.165449
H 1.124353 -2.041638 1.267342
H 2.127184 -0.022823 2.048887
H -0.565779 2.114818 -0.436562
H -2.791762 3.126012 -0.290416
H -2.406048 2.834462 1.424842
H 0.940932 1.636532 -1.044153
H 1.193123 -3.883378 -0.962735
H -0.480002 -3.309382 -0.740629
H 5.709667 0.481214 -0.771986
H -0.184008 -4.309464 -3.047576
H 1.121097 -3.176533 -3.409815
H -0.537863 -2.578980 -3.196024
H -1.898091 -2.323411 4.237751
H -1.245829 -3.941777 3.905416
H -2.950653 -3.599069 3.565688
H 2.476908 3.701207 -2.973352
H 1.309225 2.427386 -3.398200
H 2.946009 2.411248 -4.088559
H -3.013563 -0.779839 -2.636126
H -1.393664 -1.303827 -3.156624
H -2.275184 -0.073865 -4.103218
H -5.435366 -0.826694 1.993406
H -6.325500 0.664266 2.317536
H -5.467136 -0.150915 3.636785


%chk=000291695-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291695

0 1
S 0.614399 -1.434153 -1.505833
S -4.400936 0.259054 0.857919
O 0.259459 1.442191 0.474193
O -1.185357 -1.056295 2.177840
O -2.232760 0.818265 -1.443676
O 3.648188 -0.789454 1.193669
O -1.625862 -3.229952 1.453782
O 5.810309 1.342047 -2.370571
O -0.751181 2.228688 -2.580284
O -3.781948 1.405208 3.283863
N 2.412293 0.682369 -0.157219
N 4.694872 0.327259 -0.589312
C -0.982238 -0.630913 0.754508
C -1.092283 0.919844 0.787419
C 0.472246 -0.951602 0.319377
C 1.229518 0.365417 0.663189
C -2.072812 1.603034 -0.187899
C -3.474252 1.836407 0.377240
C 2.341213 1.521664 -1.275927
C 3.598297 0.015720 0.217072
C 0.377888 -3.317347 -1.300810
C -1.492906 -2.408169 2.388831
C 3.432752 1.795204 -2.067303
C 0.201602 -3.950772 -2.686627
C 4.725751 1.180396 -1.737767
C -1.530629 1.251175 -2.588090
C -1.601164 -2.705146 3.866898
C 3.359704 2.705219 -3.268606
C -4.366751 0.457799 2.715645
C -1.867380 0.368403 -3.763652
C -5.149922 -0.627064 3.426596
H -1.732595 -1.122697 0.118809
H -1.358756 1.224697 1.818659
H 0.894664 -1.791736 0.892516
H 1.566142 0.309383 1.716386
H -1.623486 2.581090 -0.455741
H -4.104309 2.344569 -0.368092
H -3.418423 2.439429 1.302533
H 1.357614 1.956608 -1.467560
H 1.279425 -3.698433 -0.791201
H -0.501625 -3.474414 -0.656009
H 5.576591 -0.132036 -0.340472
H 0.101075 -5.046928 -2.583528
H 1.069173 -3.750447 -3.340733
H -0.707485 -3.572679 -3.187620
H -1.911746 -1.812043 4.430502
H -0.611318 -3.018238 4.247401
H -2.304881 -3.536060 4.028791
H 4.025685 3.578391 -3.141911
H 2.329002 3.061951 -3.432652
H 3.705434 2.179482 -4.177125
H -2.960300 0.282202 -3.883515
H -1.467703 -0.642805 -3.570123
H -1.413458 0.776474 -4.677836
H -5.299451 -1.516477 2.793724
H -6.142983 -0.226666 3.704737
H -4.631699 -0.907012 4.359298


