%chk=000230254.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230254

0 1
S 2.308207 2.779085 0.229411
S 2.643390 -0.727560 0.843934
S -2.609642 2.434941 -0.016181
S -2.533889 -1.103198 0.487166
O -0.128673 3.147871 -1.009746
O 0.204556 -1.882096 -0.482302
O 5.001687 2.753153 -1.466019
O 4.471136 -2.291392 1.510772
O -4.465898 3.932262 0.648989
O -4.816519 -2.634285 0.129294
C 1.211543 1.460334 0.015644
C 1.286307 0.131492 0.159617
C -1.328123 1.281831 -0.123638
C -1.229248 -0.049104 0.002697
C -0.087635 2.091160 -0.436031
C 0.094318 -0.724786 -0.140777
C 3.955427 2.189289 0.657090
C 2.961329 -2.075237 -0.349109
C -4.120205 1.554289 0.486596
C -2.580198 -2.394042 -0.797208
C 4.682842 1.677871 -0.577498
C 4.316868 -2.587976 0.112144
C -5.148925 2.679471 0.481421
C -3.656002 -3.350724 -0.311654
H 4.482143 3.080759 1.071256
H 3.949100 1.436763 1.471401
H 2.155420 -2.835479 -0.289701
H 2.966650 -1.712858 -1.390207
H -3.999960 1.083757 1.480115
H -4.389616 0.744470 -0.216231
H -1.591294 -2.896076 -0.890654
H -2.806339 -1.953820 -1.782585
H 4.111460 0.907066 -1.126004
H 5.683201 1.273287 -0.316855
H 5.163361 -2.037665 -0.346314
H 4.443902 -3.670261 -0.065185
H -5.919891 2.551567 1.260801
H -5.639311 2.802961 -0.506222
H -3.356876 -3.906942 0.601807
H -3.945910 -4.071899 -1.099059
H 4.185017 3.174763 -1.811258
H 3.902372 -2.881611 2.055313
H -4.183205 4.054332 1.583659
H -5.195176 -2.105065 -0.600789


%chk=000230254-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230254

0 1
S 2.974741 2.411995 0.785185
S 2.955539 -0.743361 1.344701
S -2.393290 2.479281 -0.544726
S -2.600641 -0.944251 -0.193484
O 0.375380 3.302526 -0.492302
O 0.037352 -1.924439 1.010818
O 2.640890 3.903193 -2.082562
O 4.820449 -2.877211 2.610155
O -4.133761 4.004880 1.730337
O -4.304432 -2.817966 -2.022839
C 1.476874 1.395287 0.480108
C 1.428146 0.038123 0.754886
C -1.021079 1.382516 -0.100958
C -1.063700 0.008775 0.093708
C 0.291173 2.109712 -0.040743
C 0.124018 -0.710574 0.630845
C 3.936843 2.157415 -0.847495
C 2.693600 -2.640905 1.300851
C -3.878075 1.830971 0.468368
C -1.960795 -2.438418 -1.196315
C 3.105287 2.528642 -2.088242
C 4.081133 -3.283947 1.411474
C -4.774441 3.013066 0.871546
C -3.122188 -3.418538 -1.395909
H 4.795889 2.839991 -0.729821
H 4.288215 1.111384 -0.885683
H 2.023156 -2.918161 2.127862
H 2.204498 -2.907167 0.351296
H -3.474395 1.304693 1.351388
H -4.439174 1.114359 -0.151138
H -1.154513 -2.907184 -0.612759
H -1.570947 -2.052777 -2.154824
H 2.262223 1.810329 -2.198547
H 3.751409 2.431133 -2.980231
H 4.729579 -2.979863 0.573343
H 3.950960 -4.387888 1.370773
H -5.682022 2.584129 1.352897
H -5.099967 3.582812 -0.015185
H -3.485759 -3.791251 -0.424572
H -2.749096 -4.284383 -1.985655
H 1.921791 3.984353 -1.390442
H 4.295075 -3.103577 3.419444
H -3.754681 3.562176 2.531460
H -4.053562 -2.429183 -2.899114


