%chk=000186178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186178

0 1
S 1.938559 2.026369 -1.344290
P 1.995259 0.795726 0.288483
O 1.173720 -0.802717 0.178508
O 3.532255 0.138506 0.735864
O 1.649803 1.426858 1.849512
N -2.969205 -0.698433 -0.085610
N -0.839943 0.400832 0.219070
C -2.896017 1.758797 0.295769
C -2.207379 0.417186 0.133288
C -2.428451 2.738718 -0.813395
C -2.611274 2.338840 1.707427
C -2.318633 -1.907633 -0.233150
C -0.216436 -0.795062 0.072992
C -0.905946 -2.003080 -0.161937
C -3.177971 -3.126533 -0.481555
C 4.421546 -0.457113 -0.303583
C 5.809952 -0.561952 0.319287
H -3.978768 1.567290 0.187933
H -1.335405 2.887480 -0.759978
H -2.925695 3.717335 -0.685588
H -2.676900 2.355110 -1.819681
H -2.983360 1.665518 2.501206
H -3.114175 3.316201 1.822041
H -1.525630 2.480994 1.851775
H -0.376035 -2.949987 -0.279497
H -2.961511 -3.568028 -1.472104
H -2.989339 -3.909876 0.275094
H -4.240173 -2.841854 -0.446891
H 4.013904 -1.448161 -0.575305
H 4.416251 0.199617 -1.195190
H 6.506941 -1.024681 -0.403590
H 6.195318 0.435933 0.588064
H 5.786296 -1.188207 1.227281
H 2.349242 1.139909 2.500151


%chk=000186178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186178

0 1
S 1.938316 2.025497 -1.353785
P 1.995145 0.811509 0.290913
O 1.177158 -0.790971 0.194381
O 3.531348 0.160155 0.749400
O 1.643513 1.459011 1.843537
N -2.957952 -0.704435 -0.094761
N -0.832791 0.400070 0.214817
C -2.890772 1.753209 0.269343
C -2.201694 0.410417 0.120705
C -2.422562 2.721349 -0.849818
C -2.606979 2.348060 1.674852
C -2.303277 -1.911145 -0.228345
C -0.210172 -0.787482 0.082333
C -0.894261 -2.001584 -0.147250
C -3.171833 -3.121247 -0.469297
C 4.417776 -0.455681 -0.280880
C 5.796336 -0.591091 0.357672
H -3.973488 1.560617 0.162533
H -1.329648 2.871266 -0.796853
H -2.920344 3.701072 -0.733018
H -2.669881 2.326929 -1.852199
H -2.980582 1.683803 2.475521
H -3.109088 3.327058 1.778335
H -1.521426 2.490789 1.818986
H -0.359565 -2.946553 -0.254394
H -3.774955 -2.976807 -1.383352
H -2.575452 -4.042228 -0.573287
H -3.885398 -3.246354 0.364730
H 3.991710 -1.437574 -0.557790
H 4.436603 0.201269 -1.172032
H 6.492343 -1.064797 -0.358983
H 6.198454 0.397842 0.634928
H 5.749310 -1.220115 1.262782
H 2.334905 1.172043 2.502676


