%chk=000229576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229576

0 1
S -5.678143 -0.742958 -0.984342
O 8.405200 0.111875 0.716263
O 7.451811 -0.625976 -1.166357
O -8.566037 -1.558016 -0.046559
C -0.234970 0.495699 -0.393962
C 1.020458 0.709199 0.462439
C -1.504553 0.922271 0.355498
C 2.288700 0.284200 -0.289784
C -2.757595 0.705324 -0.503366
C 3.544687 0.495351 0.566576
C -4.029012 1.125371 0.246859
C 4.807928 0.071858 -0.191580
C -5.284983 0.991363 -0.601355
C 6.063242 0.280995 0.661899
C 7.298480 -0.138702 -0.072818
C -6.217402 -1.438345 0.598956
C -7.646052 -1.011795 0.901703
H -0.312921 -0.568705 -0.689904
H -0.147160 1.064245 -1.340031
H 0.932931 0.137760 1.406679
H 1.096871 1.773035 0.759284
H -1.591764 0.351878 1.300321
H -1.426906 1.986391 0.650456
H 2.375315 0.855664 -1.234525
H 2.210243 -0.779335 -0.588982
H -2.670316 1.274050 -1.449007
H -2.830193 -0.360238 -0.802291
H 3.619977 1.558767 0.866371
H 3.456677 -0.079135 1.509268
H -4.124720 0.536143 1.181029
H -3.930262 2.181501 0.577733
H 4.735181 -0.992039 -0.498139
H 4.898112 0.642251 -1.138785
H -5.161806 1.489147 -1.585809
H -6.148753 1.476232 -0.110815
H 5.993056 -0.286084 1.617158
H 6.160518 1.345459 0.972165
H -5.525204 -1.166632 1.415285
H -6.157452 -2.542863 0.486038
H -8.007163 -1.438434 1.860226
H -7.765822 0.087277 0.926655
H 9.257013 -0.149901 0.278241
H -8.318211 -1.294247 -0.961688


%chk=000229576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229576

0 1
S -5.748155 -0.951426 -0.960309
O 8.555505 0.037895 0.883436
O 7.613145 -0.449202 -1.181138
O -8.763209 -1.448945 -0.020069
C -0.210011 0.547671 -0.472919
C 1.054946 0.693521 0.402667
C -1.511668 0.905428 0.279460
C 2.363734 0.355623 -0.346088
C -2.785305 0.712760 -0.573513
C 3.619001 0.465447 0.548616
C -4.073276 1.111660 0.179060
C 4.926931 0.134888 -0.203200
C -5.367288 0.883426 -0.621882
C 6.161503 0.237498 0.712423
C 7.461677 -0.095930 0.008396
C -6.400281 -1.477252 0.747157
C -7.827248 -0.962841 0.992457
H -0.278175 -0.494770 -0.847869
H -0.114371 1.194776 -1.369683
H 0.961223 0.033548 1.290638
H 1.113359 1.731647 0.792387
H -1.587199 0.279878 1.193818
H -1.454426 1.958516 0.627624
H 2.473671 1.032279 -1.218804
H 2.296256 -0.673160 -0.757145
H -2.703276 1.316315 -1.501834
H -2.865467 -0.345975 -0.891001
H 3.680149 1.492371 0.966835
H 3.507118 -0.217981 1.416584
H -4.124724 0.562077 1.141307
H -4.022337 2.189423 0.444231
H 4.869402 -0.885171 -0.628998
H 5.049253 0.818774 -1.064814
H -5.301018 1.333152 -1.628619
H -6.246985 1.314995 -0.112901
H 6.066674 -0.440481 1.583836
H 6.258978 1.254990 1.139790
H -5.693198 -1.129526 1.520345
H -6.384837 -2.579667 0.714562
H -8.208076 -1.349603 1.954345
H -7.833592 0.148286 1.040680
H 9.392219 -0.190370 0.393853
H -8.341623 -1.274645 -0.906713


