%chk=000187912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187912

0 1
S 7.307606 3.195766 1.653522
S -8.031570 1.082393 -1.769507
O 4.298711 -0.213188 -0.475019
O -3.934360 -1.404279 -0.245931
O 6.726974 4.651135 2.286867
O -8.531909 2.590318 -1.191578
O 7.655344 3.460847 0.287715
O 8.303641 2.748250 2.584295
O -8.739727 0.101019 -0.999327
O -8.203269 1.150289 -3.192991
N 4.650205 -1.997309 -2.454944
N -3.959167 -1.665528 2.542259
C 5.622498 1.358843 0.613808
C -5.773499 -0.148157 -0.953115
C 0.948274 -1.835631 -0.390479
C -0.322562 -1.814462 0.363293
C 4.243835 0.693372 0.664581
C -4.364635 -0.011217 -0.371528
C 5.818231 2.290143 1.803729
C -6.353830 1.218180 -1.299939
C 3.193145 -1.012754 -0.713865
C -2.718547 -1.547816 0.424134
C 2.003243 -0.983681 0.000044
C -1.531329 -1.556641 -0.303197
C 3.381882 -1.893383 -1.826278
C -2.744642 -1.786787 1.824023
C 1.108464 -2.689153 -1.484125
C -0.331345 -2.056163 1.746628
C 2.314206 -2.719362 -2.197220
C -1.522872 -2.048908 2.472217
H 6.402702 0.565459 0.586575
H 5.730809 1.906795 -0.351711
H -6.420260 -0.688864 -0.224045
H -5.727443 -0.808581 -1.847948
H 4.086332 0.101904 1.582582
H 3.416652 1.407286 0.512649
H -3.663697 0.503069 -1.049439
H -4.351270 0.464319 0.623852
H 5.794939 1.710728 2.754868
H 4.949083 2.983938 1.900211
H -5.747864 1.700771 -2.100239
H -6.243815 1.915527 -0.435413
H 1.859717 -0.315706 0.843571
H -1.552473 -1.374507 -1.377025
H 0.294736 -3.348625 -1.784528
H 0.607846 -2.265161 2.260300
H 2.424020 -3.403575 -3.037131
H -1.506060 -2.240034 3.543038
H 5.268856 -1.211397 -2.280028
H 4.616788 -2.224406 -3.440020
H -4.791152 -1.805280 1.973859
H -4.006665 -2.200830 3.399586
H 7.373331 5.345309 2.469369
H -9.414306 2.890725 -1.443701


%chk=000187912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187912

0 1
S 8.269435 2.132577 2.014113
S -8.514049 0.099198 -2.087222
O 4.282962 0.137485 -0.681105
O -4.245144 -0.655079 0.805740
O 8.260540 2.570944 3.825773
O -8.568874 0.204095 -3.947448
O 8.465733 3.468370 1.123658
O 9.227088 0.855188 1.756783
O -8.977774 1.507385 -1.440950
O -9.206885 -1.273942 -1.587579
N 3.876847 -0.722008 -3.183187
N -3.705662 -1.088359 3.390852
C 6.029155 1.066401 0.667571
C -6.125387 -0.287356 -0.631712
C 0.643167 -0.902210 -0.388895
C -0.465809 -0.953585 0.600937
C 4.557391 0.620282 0.671927
C -4.594147 -0.425421 -0.595824
C 6.423831 1.597862 2.046084
C -6.599314 -0.064293 -2.068279
C 2.977132 -0.352809 -0.950340
C -2.870190 -0.828671 1.118303
C 1.927273 -0.401585 -0.019998
C -1.820389 -0.779353 0.187987
C 2.804479 -0.795842 -2.299538
C -2.628619 -1.051115 2.510661
C 0.472893 -1.343626 -1.727089
C -0.226600 -1.175706 1.982322
C 1.526448 -1.291486 -2.663045
C -1.280962 -1.222395 2.917743
H 6.662162 0.203914 0.390278
H 6.162037 1.848263 -0.102221
H -6.422802 0.560581 0.011764
H -6.576332 -1.206227 -0.214987
H 4.387548 -0.193882 1.407715
H 3.881810 1.466534 0.917496
H -4.253900 -1.281317 -1.216329
H -4.099671 0.497851 -0.964325
H 6.401245 0.846279 2.850842
H 5.907020 2.521873 2.349349
H -6.419767 -0.913724 -2.745879
H -6.269011 0.883587 -2.521481
H 2.071423 -0.018184 0.994916
H -2.026912 -0.567268 -0.865703
H -0.486352 -1.773917 -2.035524
H 0.796288 -1.356483 2.330722
H 1.366840 -1.652675 -3.686174
H -1.064138 -1.409758 3.976342
H 4.766695 -0.358621 -2.854447
H 3.781597 -1.024545 -4.146945
H -4.646332 -0.961658 3.028888
H -3.564157 -1.239097 4.384148
H 9.165134 2.921964 4.066878
H -9.521195 0.326561 -4.226262


