%chk=000180598.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180598

0 1
S -5.050390 0.349985 0.677958
O 5.591165 -0.142946 1.380888
O 0.831229 -0.819922 -2.556135
O -5.353936 1.448111 1.576771
O -5.847279 0.116416 -0.510245
N 3.515322 0.307842 -0.523540
N 0.718754 0.550639 -0.698572
N -5.218019 -1.077208 1.628463
C 3.763507 -1.062686 0.038016
C 4.800463 1.080437 -0.587544
C 4.373866 -0.912790 1.440322
C 5.381867 1.172874 0.833450
C 2.885404 0.215538 -1.874757
C 1.391183 -0.097675 -1.757158
C -0.669777 0.465314 -0.406501
C -3.385280 0.393347 0.264645
C -1.130609 1.144589 0.747300
C -1.574358 -0.243288 -1.220446
C -2.483013 1.102065 1.068808
C -2.923613 -0.270689 -0.879084
H 4.436118 -1.676140 -0.600644
H 2.792992 -1.600789 0.101222
H 4.583878 2.099610 -0.972512
H 5.548362 0.619258 -1.268768
H 2.987894 1.187493 -2.412756
H 3.344014 -0.551081 -2.543464
H 3.674697 -0.430478 2.145637
H 4.723401 -1.878673 1.847416
H 6.401738 1.597694 0.837959
H 4.724428 1.746604 1.510125
H 1.298157 1.084028 -0.031402
H -0.441761 1.699614 1.379422
H -1.221155 -0.768140 -2.116055
H -2.845392 1.637073 1.955720
H -3.629615 -0.811573 -1.521557
H -5.446937 -0.970210 2.613783
H -5.762708 -1.845642 1.243934


%chk=000180598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180598

0 1
S -4.976907 0.480132 0.868720
O 5.366407 0.138334 1.584538
O 0.840943 -0.709377 -3.007391
O -5.074807 1.596365 2.053137
O -5.905987 0.503528 -0.469239
N 3.495231 0.232404 -0.632045
N 0.841118 0.251954 -0.843002
N -5.281992 -1.150027 1.682524
C 3.800237 -1.050301 0.070584
C 4.666335 1.153890 -0.570240
C 4.207315 -0.765068 1.525199
C 5.052040 1.401195 0.897866
C 2.966310 0.013479 -1.999569
C 1.435297 -0.205974 -2.010727
C -0.523949 0.277619 -0.486562
C -3.186879 0.382987 0.327877
C -0.862043 0.804455 0.792668
C -1.549108 -0.186249 -1.360010
C -2.203434 0.859696 1.210446
C -2.894305 -0.131896 -0.944826
H 4.625529 -1.594463 -0.445534
H 2.901589 -1.695333 0.052477
H 4.394190 2.112717 -1.049732
H 5.543244 0.728403 -1.112019
H 3.166976 0.910043 -2.616746
H 3.429858 -0.849338 -2.523585
H 3.350910 -0.315670 2.075082
H 4.524514 -1.688868 2.035204
H 5.965959 2.012737 0.969097
H 4.217827 1.917065 1.421960
H 1.561977 0.598654 -0.178738
H -0.072234 1.176155 1.455788
H -1.277463 -0.576093 -2.343009
H -2.485576 1.282547 2.179526
H -3.701093 -0.460369 -1.607704
H -5.552197 -0.962120 2.662903
H -6.021236 -1.634611 1.145783


