%chk=000257394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257394

0 1
S 2.323276 -0.303967 1.428978
S -1.482729 -1.259742 -1.387381
O 1.592484 1.002256 0.651241
O -1.479584 0.220483 -0.578198
O 1.256583 -1.258374 1.667286
O 3.031081 0.229695 2.565665
O -0.086650 -1.566332 -1.637603
O -2.365173 -1.116777 -2.518029
C -0.368598 2.249751 0.056772
C -1.711178 2.772871 0.617594
C 0.552976 3.370473 -0.481355
C 0.343840 1.478611 1.199901
C -0.625764 1.257460 -1.108873
C -2.499245 3.646530 -0.366064
C 0.827542 4.486543 0.521851
C -3.828820 4.110875 0.246965
C -4.621173 4.984107 -0.723431
C 3.402117 -0.809673 0.201554
C -2.171949 -2.252941 -0.177136
C 4.775829 -0.565402 0.348479
C -3.491682 -2.705034 -0.326226
C 2.921217 -1.457548 -0.941013
C -1.429937 -2.609179 0.953804
C 5.666298 -0.974204 -0.643979
C -4.064856 -3.516775 0.652349
C 3.816450 -1.865786 -1.936788
C -2.007541 -3.422795 1.935657
C 5.184093 -1.625035 -1.788542
C -3.320277 -3.875021 1.785202
H -2.334005 1.896245 0.900802
H -1.528755 3.338780 1.550735
H 1.520710 2.910418 -0.780592
H 0.116352 3.802170 -1.402362
H 0.590903 2.137151 2.051031
H -0.270789 0.617873 1.531663
H 0.327357 0.813571 -1.460093
H -1.170029 1.732591 -1.944164
H -2.698006 3.080434 -1.297623
H -1.899016 4.526837 -0.665573
H 1.488812 5.245523 0.087451
H -0.092021 4.993326 0.835903
H 1.323184 4.105463 1.423376
H -4.435854 3.230731 0.537410
H -3.638601 4.670192 1.183455
H -4.860236 4.444483 -1.647314
H -5.568784 5.309439 -0.280040
H -4.063822 5.884435 -1.005165
H 5.149787 -0.055580 1.244299
H -4.071661 -2.422543 -1.212849
H 1.840801 -1.650941 -1.072304
H -0.391234 -2.255108 1.086745
H 6.732961 -0.787539 -0.531522
H -5.088127 -3.870519 0.538134
H 3.436636 -2.368334 -2.826645
H -1.426047 -3.695907 2.816530
H 5.881423 -1.942829 -2.565007
H -3.770272 -4.508632 2.550838


%chk=000257394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257394

0 1
S 2.402940 -0.312790 1.557534
S -1.525870 -1.315791 -1.523798
O 1.691036 1.160763 0.648003
O -1.623446 0.325772 -0.627642
O 1.189374 -1.373175 1.768948
O 3.246324 0.178867 2.847203
O 0.051177 -1.653234 -1.724199
O -2.495378 -1.302640 -2.818440
C -0.366329 2.337169 0.012472
C -1.687945 2.896840 0.629180
C 0.539305 3.451612 -0.606829
C 0.371780 1.598708 1.162271
C -0.665775 1.336152 -1.136952
C -2.595448 3.700228 -0.330074
C 0.963380 4.573337 0.365699
C -3.894450 4.171627 0.364942
C -4.809480 4.993100 -0.568261
C 3.581354 -0.868322 0.203542
C -2.291917 -2.371994 -0.171635
C 4.950817 -0.661878 0.435966
C -3.588615 -2.855636 -0.410230
C 3.041811 -1.466951 -0.946153
C -1.533637 -2.638350 0.979665
C 5.847450 -1.098990 -0.565933
C -4.164103 -3.676636 0.586490
C 3.962866 -1.892124 -1.932618
C -2.136212 -3.461006 1.960703
C 5.353528 -1.709204 -1.743326
C -3.440166 -3.975308 1.765137
H -2.269482 2.043341 1.030310
H -1.429679 3.540020 1.494737
H 1.449610 2.969246 -1.011623
H 0.007937 3.901082 -1.468494
H 0.524833 2.274137 2.023913
H -0.219885 0.716724 1.474952
H 0.274678 0.838929 -1.444222
H -1.116748 1.857332 -2.001242
H -2.867287 3.079626 -1.206811
H -2.056559 4.587417 -0.719636
H 1.595771 5.310364 -0.161855
H 0.093620 5.116515 0.777853
H 1.555828 4.177583 1.209644
H -4.445535 3.285777 0.740642
H -3.633035 4.777616 1.256850
H -5.106812 4.400251 -1.453716
H -5.732461 5.312643 -0.050473
H -4.293707 5.902247 -0.931233
H 5.295902 -0.189370 1.361019
H -4.115443 -2.607404 -1.336978
H 1.961700 -1.598344 -1.084527
H -0.525009 -2.232147 1.123424
H 6.924144 -0.960879 -0.424173
H -5.171991 -4.077837 0.439388
H 3.584505 -2.361049 -2.846415
H -1.580573 -3.691476 2.875168
H 6.055039 -2.043915 -2.515143
H -3.893432 -4.611775 2.532773


