%chk=000263909.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263909

0 1
S -2.345894 -0.232575 -1.213071
S 2.560583 1.000290 -1.207212
O -0.656734 4.448002 -1.485843
O 0.693335 -0.635978 0.498846
O -1.446457 -1.360908 -1.039340
O -2.729893 0.196554 -2.540701
O 3.179310 1.897922 -2.173151
O 1.523170 0.113574 -1.713999
N -1.626997 1.153719 -0.460773
N 1.866446 2.072985 -0.046125
C -0.303894 3.286722 -0.719985
C 0.265327 0.482427 1.241832
C -0.872830 2.028909 -1.396781
C -1.153605 1.018508 0.927889
C 1.235526 3.305829 -0.553778
C 1.392268 1.554702 1.244407
C -3.748459 -0.502787 -0.244787
C 3.771662 0.144872 -0.346344
C -4.826553 0.387250 -0.301143
C 3.515850 -1.120212 0.194386
C -3.819700 -1.634202 0.576426
C 5.049318 0.710244 -0.219789
C -5.966201 0.157548 0.469800
C 4.523128 -1.811971 0.869692
C -4.955895 -1.870263 1.349212
C 6.057391 0.025547 0.453512
C -6.038783 -0.974249 1.301061
C 5.800036 -1.244899 1.004375
C -7.265237 -1.226763 2.111606
C 6.887894 -1.981533 1.711114
H -0.817625 3.497997 0.249153
H 0.228339 0.067780 2.288509
H -1.606283 2.354069 -2.184211
H -0.078449 1.459040 -1.940631
H -1.885867 0.369790 1.468966
H -1.249561 2.026132 1.408663
H 1.716143 3.580357 -1.528318
H 1.497820 4.144332 0.135636
H 1.079919 2.404841 1.891981
H 2.277563 1.095037 1.753976
H -0.324770 4.387414 -2.405503
H 0.298170 -0.702586 -0.438834
H -4.781629 1.265878 -0.953851
H 2.514958 -1.572288 0.093952
H -2.979417 -2.340615 0.607797
H 5.258718 1.691999 -0.661053
H -6.802548 0.852395 0.421175
H 4.312972 -2.795875 1.285229
H -5.006017 -2.753489 1.983076
H 7.046811 0.468219 0.546892
H -7.673667 -0.303413 2.546743
H -8.060373 -1.664465 1.486576
H -7.092657 -1.924162 2.942638
H 6.514019 -2.816805 2.318858
H 7.602833 -2.406700 0.988610
H 7.462186 -1.326947 2.382133


%chk=000263909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263909

0 1
S -2.104209 -1.084898 -0.139501
S 3.309875 2.720417 -0.461012
O 0.359768 2.591981 -2.789312
O 0.950704 -0.536403 1.151300
O -1.383159 -1.981930 1.059661
O -2.022768 -1.565035 -1.689772
O 4.057275 3.881285 0.409087
O 3.037021 3.011520 -2.053453
N -1.472401 0.762391 -0.074743
N 1.606520 2.237046 0.114051
C -0.294027 2.489720 -1.491054
C 0.452447 0.689690 1.749437
C -0.536729 0.977043 -1.213935
C -1.016723 1.035823 1.318469
C 0.563037 3.170134 -0.390362
C 1.511181 1.800960 1.519833
C -3.903758 -0.920264 0.368477
C 4.250573 1.116874 -0.205342
C -4.811901 -0.403553 -0.572116
C 3.758018 -0.068602 -0.776225
C -4.278297 -1.355516 1.648149
C 5.453964 1.195605 0.512915
C -6.165867 -0.310028 -0.190705
C 4.523104 -1.239573 -0.602155
C -5.642807 -1.249860 2.004224
C 6.201998 0.006833 0.665917
C -6.600648 -0.725687 1.098791
C 5.752014 -1.220390 0.112808
C -8.064531 -0.618353 1.483082
C 6.561964 -2.492893 0.275169
H -1.262428 3.016128 -1.581752
H 0.411793 0.586428 2.861270
H -1.008924 0.560298 -2.118728
H 0.443076 0.492418 -1.052995
H -1.702295 0.483209 1.988202
H -1.215247 2.108594 1.508378
H 1.020482 4.074506 -0.837200
H -0.055194 3.512719 0.459965
H 1.287242 2.651696 2.200585
H 2.479931 1.366622 1.826789
H 1.357472 2.661297 -2.659552
H 0.235149 -1.249416 1.202675
H -4.478013 -0.100457 -1.569123
H 2.803299 -0.089784 -1.307332
H -3.533804 -1.786626 2.325035
H 5.786286 2.151660 0.930279
H -6.896286 0.087846 -0.904692
H 4.154243 -2.182393 -1.021304
H -5.964009 -1.587218 2.995891
H 7.145862 0.036147 1.221396
H -8.418185 0.427449 1.419542
H -8.699090 -1.216260 0.802798
H -8.243810 -0.974147 2.511349
H 5.949026 -3.303159 0.710657
H 6.930444 -2.855472 -0.702876
H 7.437046 -2.339223 0.928556


