%chk=000229357.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229357

0 1
S -0.840137 -1.324355 0.173056
O -1.246154 -1.794133 -1.136613
O -1.057744 -2.135678 1.353464
O 5.569743 0.257096 1.087645
O 5.594658 0.522814 -1.132553
N -1.609491 0.171882 0.498642
C -2.317253 0.885336 -0.604819
C -3.608883 0.171378 -1.059214
C -2.617895 2.331113 -0.149903
C -4.724156 0.246056 -0.012531
C -3.751453 2.409362 0.880569
C -5.017930 1.698832 0.385198
C 0.845060 -0.880207 0.092379
C 1.429224 -0.612404 -1.147768
C 1.595729 -0.802236 1.266697
C 2.777016 -0.248005 -1.217110
C 2.945617 -0.438634 1.207133
C 3.528832 -0.159113 -0.035594
C 4.957190 0.235965 -0.146004
H -1.610415 0.925650 -1.477598
H -3.390333 -0.886736 -1.318688
H -3.954260 0.632914 -2.004850
H -2.884582 2.930332 -1.042091
H -1.700000 2.790076 0.266176
H -4.448560 -0.344472 0.881969
H -5.641324 -0.228487 -0.411535
H -3.977742 3.469724 1.102903
H -3.422305 1.965781 1.839847
H -5.438685 2.244965 -0.481064
H -5.796854 1.725499 1.169900
H -2.134076 0.231163 1.384798
H 0.840168 -0.699845 -2.068553
H 1.138088 -1.035349 2.234985
H 3.249147 -0.034789 -2.180783
H 3.546717 -0.373383 2.118843
H 6.529946 0.518285 1.026367


%chk=000229357-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229357

0 1
S -0.807263 -1.310767 -0.099959
O -1.121668 -1.696684 -1.655455
O -1.100016 -2.323443 1.145739
O 5.711015 0.177499 1.358887
O 5.835217 0.495461 -0.938986
N -1.660863 0.305815 0.335422
C -2.539972 0.849561 -0.753467
C -3.881596 0.086638 -0.929647
C -2.790680 2.346908 -0.421933
C -4.827188 0.272466 0.281556
C -3.740489 2.531487 0.786840
C -5.073899 1.771178 0.581086
C 1.021433 -0.829436 -0.030144
C 1.669634 -0.527042 -1.238475
C 1.654990 -0.833415 1.222858
C 3.037369 -0.190220 -1.179071
C 3.023412 -0.494480 1.267701
C 3.710685 -0.167196 0.069751
C 5.156354 0.197467 0.071776
H -1.954339 0.774637 -1.688474
H -3.675893 -0.982488 -1.122311
H -4.377171 0.484762 -1.838105
H -3.247445 2.812289 -1.318842
H -1.822354 2.846820 -0.240604
H -4.401197 -0.220082 1.181929
H -5.785323 -0.243989 0.083563
H -3.935091 3.609730 0.941429
H -3.245022 2.169502 1.711190
H -5.621430 2.224736 -0.271067
H -5.719631 1.883450 1.473055
H -2.198876 0.043729 1.186911
H 1.125539 -0.579775 -2.186598
H 1.102272 -1.114414 2.124476
H 3.599016 0.053197 -2.086350
H 3.564798 -0.482737 2.217000
H 6.672575 0.425232 1.301615


