%chk=000184698.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184698

0 1
S 5.617967 -0.345194 -0.072446
O 6.219197 0.412980 -1.458513
O 6.257741 -1.629562 -0.027698
O 5.804566 0.590788 0.999892
O -0.877640 1.765878 -0.137435
N 0.655100 -0.076093 1.304047
N -0.712707 -0.213534 0.970345
C 2.996769 -0.229054 0.576538
C 3.954915 -0.464013 -0.589502
C 1.538082 -0.248013 0.091565
C -2.867203 0.399120 0.018993
C -3.879364 1.258907 0.488898
C -1.433379 0.746510 0.239766
C -3.196661 -0.764170 -0.692440
C -5.222811 0.917785 0.249752
C -3.540119 2.504427 1.233355
C -4.532426 -1.086629 -0.928148
C -5.544712 -0.243141 -0.451973
H 3.130700 -1.005730 1.361630
H 3.222080 0.742400 1.072499
H 3.742848 0.263449 -1.409880
H 3.748335 -1.450958 -1.061996
H 1.363065 0.538653 -0.676523
H 1.300876 -1.223100 -0.385424
H 0.808364 0.882107 1.684072
H -1.118605 -1.084662 1.313767
H -2.406188 -1.412546 -1.071191
H -6.016278 1.570054 0.611788
H -2.721096 3.058795 0.736776
H -4.385795 3.198517 1.318153
H -3.197452 2.282426 2.254653
H -4.788663 -1.987233 -1.482460
H -6.589843 -0.495219 -0.634400
H 7.166935 0.592956 -1.490160


%chk=000184698-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184698

0 1
S 5.756384 -0.133887 -0.055681
O 6.422503 0.092139 -1.783936
O 6.229917 -1.566251 0.529450
O 6.010653 1.203470 0.817970
O -0.898469 1.773959 0.435759
N 0.641949 -0.398434 1.260518
N -0.737577 -0.487651 0.910199
C 2.993205 -0.268841 0.534654
C 3.933230 -0.208821 -0.668268
C 1.527411 -0.363733 0.054464
C -2.906083 0.372927 0.164867
C -3.920492 1.327727 0.489032
C -1.463539 0.635650 0.499150
C -3.246864 -0.825582 -0.519273
C -5.256737 1.021230 0.127065
C -3.615938 2.631827 1.203171
C -4.582109 -1.104049 -0.876728
C -5.593079 -0.174763 -0.545669
H 3.219773 -1.145746 1.168113
H 3.125407 0.640157 1.153401
H 3.840453 0.705913 -1.274174
H 3.928591 -1.110209 -1.301046
H 1.278463 0.487832 -0.614933
H 1.369227 -1.303653 -0.503883
H 0.771027 0.469986 1.809933
H -1.205024 -1.358662 1.165671
H -2.454477 -1.525786 -0.808624
H -6.046203 1.739225 0.378039
H -2.991917 3.288718 0.573436
H -4.549484 3.160325 1.461079
H -3.039558 2.467982 2.131657
H -4.828287 -2.026375 -1.413380
H -6.636089 -0.375418 -0.814560
H 7.420330 0.125696 -1.731175


