%chk=000289164.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289164

0 1
S 0.128106 -2.053022 -0.277522
O 0.659292 -2.913512 -1.321414
O -0.501182 -2.700798 0.856991
O -1.330720 -0.699131 1.612533
O -3.387383 0.206048 1.616092
N -1.054102 -1.083218 -1.122581
C 1.354461 -0.950117 0.201019
C -1.094381 0.345135 -1.065746
C -1.573418 -1.691244 -2.377713
C -1.684730 0.981322 0.050734
C 1.439600 -0.468390 1.511318
C 2.323979 -0.566651 -0.738748
C -0.611476 1.136635 -2.128808
C 3.425287 0.801405 0.934082
C 2.464968 0.404932 1.878419
C 3.349258 0.304321 -0.381366
C -1.767084 2.379712 0.104159
C -0.697398 2.525682 -2.059944
C -1.268694 3.151919 -0.944362
C 4.530387 1.723664 1.324072
C -2.279463 0.174991 1.141745
H -0.776802 -1.891339 -3.116008
H -2.341299 -1.052104 -2.841986
H -2.055782 -2.655881 -2.129670
H 0.696873 -0.775198 2.260273
H 2.283298 -0.963890 -1.759455
H -0.170242 0.659733 -3.002365
H 2.518082 0.775047 2.900685
H 4.096626 0.595469 -1.116722
H -2.234234 2.857490 0.968787
H -0.315539 3.131712 -2.883111
H -1.331278 4.237690 -0.900435
H 4.241720 2.410372 2.132367
H 5.401760 1.153543 1.685074
H 4.879128 2.343697 0.486464
H -1.689217 -1.494625 2.112441


%chk=000289164-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289164

0 1
S 0.276497 -2.170903 -0.586430
O 0.928001 -2.594313 -2.032029
O -0.050054 -3.320043 0.509489
O -1.437844 -0.756292 1.593573
O -2.218246 1.318172 2.250985
N -1.509749 -1.181720 -1.096603
C 1.458085 -0.907096 0.163893
C -1.288230 0.223310 -1.195063
C -1.904514 -1.897825 -2.339846
C -1.386352 1.055519 -0.020986
C 1.630832 -0.893241 1.555680
C 2.188740 -0.089027 -0.713914
C -1.067948 0.865086 -2.453242
C 3.331806 0.868643 1.251937
C 2.579515 0.004214 2.091452
C 3.123454 0.807079 -0.151868
C -1.257012 2.462779 -0.151131
C -0.938975 2.261392 -2.558114
C -1.025428 3.069744 -1.399745
C 4.365032 1.811872 1.839585
C -1.725486 0.583473 1.355475
H -1.151913 -1.893213 -3.153829
H -2.844166 -1.440946 -2.700208
H -2.105986 -2.947909 -2.071678
H 1.052898 -1.572651 2.187543
H 2.050844 -0.169339 -1.796298
H -0.995684 0.252471 -3.357005
H 2.737287 0.032300 3.175647
H 3.702564 1.460716 -0.814051
H -1.367693 3.067012 0.755038
H -0.766851 2.719659 -3.538494
H -0.926666 4.157555 -1.472518
H 4.096716 2.120811 2.864542
H 5.357083 1.322848 1.892425
H 4.480655 2.721472 1.225135
H -1.762811 -1.010207 2.499953


