%chk=000187027.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187027

0 1
S -8.367640 -1.301028 0.046438
O 3.282178 2.566209 -0.159898
O 6.038023 3.871792 1.111649
O 5.952409 3.831427 -1.393507
O 4.824311 0.562948 -2.817833
O 1.687403 -2.817272 2.975199
O -8.476040 -2.890341 -0.511017
O -8.685790 -1.406718 1.447170
O -9.173830 -0.508954 -0.840042
N 3.753586 1.178205 1.677522
N 1.513569 0.607614 0.650823
N 3.939771 -0.669625 3.029345
N 0.605663 -1.498697 1.438267
N -0.504504 -0.175053 -0.284326
N -1.704200 -0.449753 0.037093
N -2.613647 -0.244246 -0.933816
C 5.555277 2.625860 0.660161
C 4.050771 2.484850 1.049286
C 5.578938 2.542009 -0.895332
C 4.116339 2.329467 -1.331075
C 3.856466 0.894746 -1.822872
C 2.612823 0.390897 1.478505
C 4.534008 0.466607 2.664094
C 2.745346 -0.751866 2.310258
C 1.716096 -1.802345 2.337057
C 0.526495 -0.432897 0.694283
C -3.991180 -0.518413 -0.645489
C -6.700818 -1.001824 -0.214474
C -4.919061 -0.234953 -1.670566
C -4.412675 -1.041417 0.590389
C -6.270930 -0.482099 -1.442278
C -5.770003 -1.280748 0.795250
H 6.218418 1.881530 1.151851
H 3.672531 3.322885 1.687633
H 6.262776 1.759223 -1.289351
H 3.781607 3.110323 -2.050826
H 2.829711 0.772089 -2.208240
H 4.032841 0.140869 -1.027101
H 5.761951 4.602285 0.481164
H 6.934801 3.897455 -1.460409
H 5.466295 0.860785 3.039728
H 1.452233 1.431495 0.048262
H 4.596553 0.978322 -3.677624
H -2.359574 0.077753 -1.881369
H -4.598520 0.169082 -2.629048
H -3.687748 -1.267106 1.379326
H -7.001732 -0.259226 -2.231538
H -6.106525 -1.685531 1.759702
H -9.169370 -3.438314 -0.115723


%chk=000187027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187027

0 1
S -8.359734 -2.091458 -0.279011
O 3.402295 2.462613 -0.240893
O 6.140302 3.817118 0.516155
O 6.808174 2.278731 -1.593953
O 4.828999 1.509680 -3.510745
O 1.283987 -2.119692 3.845842
O -7.980628 -3.478120 -1.460062
O -8.708682 -2.736156 1.163099
O -9.385920 -1.067017 -0.997668
N 3.818945 1.245859 1.774702
N 1.458692 0.914167 1.000068
N 3.829972 -0.370610 3.405816
N 0.253464 -0.828801 2.163469
N -0.730865 0.540265 0.383567
N -1.851430 -0.113453 0.560382
N -2.816677 0.315768 -0.292667
C 5.696156 2.432716 0.570648
C 4.212027 2.447338 1.004192
C 5.636498 1.837069 -0.856693
C 4.320517 2.429724 -1.407846
C 3.720840 1.588344 -2.534134
C 2.563199 0.645003 1.776722
C 4.544180 0.589601 2.808144
C 2.574754 -0.356547 2.770382
C 1.379223 -1.186893 3.009542
C 0.324408 0.127803 1.263406
C -4.101518 -0.265275 -0.268781
C -6.643461 -1.367568 -0.278004
C -5.075920 0.222041 -1.180361
C -4.413319 -1.306947 0.648160
C -6.366817 -0.337432 -1.191397
C -5.702540 -1.867548 0.640118
H 6.338898 1.834527 1.241865
H 3.981141 3.366498 1.570697
H 5.572036 0.731307 -0.811739
H 4.501052 3.465285 -1.753547
H 2.833006 2.078637 -2.977723
H 3.445133 0.581362 -2.161104
H 6.831025 3.864879 -0.201213
H 6.635835 2.071986 -2.552445
H 5.559669 0.871187 3.073751
H 1.472306 1.615070 0.253694
H 4.541089 1.045959 -4.333327
H -2.590648 1.076149 -0.954157
H -4.828471 1.030052 -1.878137
H -3.647987 -1.659550 1.343360
H -7.140623 0.023510 -1.875513
H -5.974543 -2.662731 1.340837
H -8.802635 -4.046148 -1.530796


