%chk=000183461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183461

0 1
S 4.375218 -0.485899 -0.077924
O -2.400185 2.774052 0.296176
O 4.665864 -0.308353 -1.733392
O 5.110365 0.594018 0.530386
O 4.702392 -1.853347 0.225248
N -1.389979 0.672454 0.088672
C 0.846283 1.300188 0.185476
C -0.056431 0.194113 0.023334
C 0.057978 2.562631 0.354135
C -1.397520 2.115398 0.257689
C 2.208542 1.095944 0.156589
C 0.418990 -1.099535 -0.186982
C -2.571835 -0.152709 0.031990
C 2.689060 -0.216171 -0.040699
C 1.806515 -1.286975 -0.215156
C -2.626622 -1.351470 0.762490
C -3.663933 0.273454 -0.742863
C -3.778783 -2.137760 0.688157
C -4.808627 -0.524318 -0.796731
C -4.866707 -1.730759 -0.090764
H 0.286704 3.318422 -0.425980
H 0.248113 3.061314 1.327646
H 2.907935 1.929291 0.288893
H -0.258070 -1.938001 -0.341323
H 2.201000 -2.300156 -0.372597
H -1.794040 -1.660082 1.392398
H -3.625822 1.223475 -1.277985
H -3.829640 -3.071664 1.248311
H -5.661840 -0.200683 -1.393796
H -5.761372 -2.349140 -0.142400
H 5.590447 -0.248432 -2.006296


%chk=000183461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183461

0 1
S 4.488756 -0.524646 -0.098471
O -2.466644 2.801451 0.360313
O 4.721336 -0.160302 -1.910424
O 5.271958 0.615881 0.743722
O 4.794102 -2.093840 0.154146
N -1.398784 0.684227 0.096259
C 0.837219 1.314895 0.208664
C -0.059153 0.219075 0.029636
C 0.029822 2.577379 0.393869
C -1.430575 2.104106 0.287606
C 2.220097 1.110886 0.162731
C 0.404303 -1.092659 -0.207856
C -2.577125 -0.141965 0.028292
C 2.658627 -0.211128 -0.062713
C 1.799806 -1.305940 -0.257381
C -2.672912 -1.303950 0.833524
C -3.647220 0.231312 -0.819011
C -3.833333 -2.104620 0.769330
C -4.808076 -0.570355 -0.866776
C -4.903408 -1.742224 -0.081370
H 0.230052 3.343764 -0.376326
H 0.183018 3.061121 1.375783
H 2.939092 1.923408 0.305867
H -0.286157 -1.923737 -0.368447
H 2.212674 -2.304623 -0.430493
H -1.861569 -1.563383 1.521703
H -3.573820 1.141993 -1.419047
H -3.905727 -3.001764 1.393402
H -5.637157 -0.278513 -1.520016
H -5.804963 -2.362366 -0.125470
H 5.699760 -0.244182 -2.108339


