%chk=000281951.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281951

0 1
S -1.478844 -2.071782 -0.088007
O -1.223944 -2.588278 1.234116
O -1.989424 -2.975931 -1.104356
N 0.674352 -0.620310 -0.036422
N 0.019737 -1.546355 -0.811594
C 2.631429 0.786315 0.576500
C 3.587175 1.414670 -0.506474
C 4.180436 0.029344 -0.931658
C 3.653688 -0.012345 1.451298
C 4.716041 -0.498338 0.429476
C 2.908637 -0.792560 -1.284433
C 1.902653 -0.285439 -0.260477
C 1.753460 1.743770 1.344289
C 2.913327 2.212992 -1.607447
C -2.448247 -0.657832 -0.011136
C -3.486324 -0.475787 -0.933731
C -2.210553 0.310789 0.970765
C -4.287613 0.662963 -0.873105
C -3.008922 1.453524 1.036512
C -4.052988 1.637400 0.114147
C -4.919144 2.849865 0.191394
H 4.359742 2.050630 -0.026163
H 4.926458 0.057330 -1.731790
H 3.167565 -0.849442 1.974371
H 4.096081 0.629349 2.226290
H 5.710984 -0.085549 0.653206
H 4.820761 -1.592750 0.435741
H 3.077145 -1.877730 -1.201567
H 2.572417 -0.593795 -2.315703
H 1.167540 1.216924 2.109609
H 2.340921 2.520920 1.844529
H 1.034396 2.241811 0.680611
H 3.606522 2.412144 -2.432487
H 2.040935 1.698658 -2.028852
H 2.559317 3.179765 -1.229704
H 0.547963 -2.169662 -1.438587
H -3.672396 -1.234584 -1.704228
H -1.394268 0.174716 1.690145
H -5.095350 0.796278 -1.589757
H -2.821456 2.200695 1.804662
H -4.389131 3.721362 0.600028
H -5.316355 3.147276 -0.789106
H -5.785823 2.665181 0.846097


%chk=000281951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281951

0 1
S -1.469551 -1.984830 0.105881
O -1.105266 -2.324979 1.655080
O -1.980986 -3.135406 -0.927106
N 0.759249 -0.370766 -0.009274
N 0.050214 -1.238956 -0.842323
C 2.881965 0.813074 0.566745
C 3.866838 1.341021 -0.545211
C 4.283707 -0.087893 -1.031245
C 3.859145 -0.116784 1.383127
C 4.814141 -0.722016 0.290118
C 2.909708 -0.743997 -1.360715
C 2.027162 -0.151868 -0.257637
C 2.111807 1.830683 1.405586
C 3.262543 2.285102 -1.597323
C -2.653412 -0.535560 0.084299
C -3.494566 -0.381716 -1.028802
C -2.669484 0.320859 1.195691
C -4.402257 0.699236 -1.017493
C -3.585540 1.395044 1.179619
C -4.461250 1.599185 0.080300
C -5.464694 2.737849 0.092051
H 4.730666 1.841978 -0.062812
H 5.000115 -0.117396 -1.868289
H 3.307499 -0.886557 1.949600
H 4.418545 0.499474 2.111207
H 5.863498 -0.426418 0.469229
H 4.780303 -1.825744 0.262757
H 2.949651 -1.852426 -1.337381
H 2.532879 -0.453463 -2.361144
H 1.447078 1.318318 2.123164
H 2.805975 2.477949 1.972997
H 1.474543 2.471022 0.769998
H 3.990685 2.491769 -2.403543
H 2.350579 1.867481 -2.061217
H 2.985665 3.253600 -1.141969
H 0.557375 -2.081622 -1.202257
H -3.447713 -1.090317 -1.861830
H -1.996467 0.143117 2.039813
H -5.073657 0.844355 -1.871597
H -3.619457 2.083652 2.031688
H -5.100226 3.593664 0.685990
H -5.685003 3.095682 -0.928581
H -6.423105 2.410802 0.539812


