%chk=000190723.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190723

0 1
S 4.214756 2.147293 0.000777
O -5.814521 -1.693024 0.001225
O -0.291147 1.785843 0.000905
N 1.049889 -0.128120 -0.000547
N -1.303409 -0.313194 -0.000480
N 2.514261 1.800528 0.000417
C 3.543359 -0.349935 -0.000379
C 2.320185 0.494335 -0.000147
C 4.697289 0.466434 0.000096
C 3.681528 -1.743762 -0.000937
C -2.676494 0.088248 -0.000364
C 5.982015 -0.074708 0.000007
C 4.963105 -2.290681 -0.001022
C -0.196661 0.584946 0.000044
C 6.103593 -1.463506 -0.000556
C -3.627920 -0.946827 0.000509
C -3.077200 1.436821 -0.001265
C -4.987867 -0.592461 0.000364
C -4.437135 1.743241 -0.001372
C -5.414198 0.742779 -0.000579
C -7.245439 -1.466733 0.001268
H 2.807793 -2.391228 -0.001279
H 1.062054 -1.147880 -0.001534
H 6.862018 0.566165 0.000381
H -1.141706 -1.321296 -0.000481
H 5.091016 -3.372622 -0.001453
H -3.356993 -1.997152 0.001317
H 7.093622 -1.920910 -0.000644
H -2.334654 2.240468 -0.001792
H -4.745955 2.790790 -0.002108
H -6.463764 1.007196 -0.000689
H -7.544956 -0.932399 0.907432
H -7.634654 -2.493136 0.002010
H -7.545212 -0.933613 -0.905524


%chk=000190723-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190723

0 1
S 4.402483 2.204752 0.000222
O -5.729684 -1.812996 0.000761
O -0.249754 2.011234 -0.001000
N 1.075943 0.053922 -0.001167
N -1.247560 -0.130975 -0.000880
N 2.589613 1.930590 -0.000374
C 3.530239 -0.301734 -0.000475
C 2.369768 0.604293 -0.000670
C 4.753151 0.432223 0.000014
C 3.572774 -1.720470 -0.000697
C -2.634634 0.196196 -0.000559
C 6.005900 -0.218218 0.000275
C 4.817482 -2.376398 -0.000439
C -0.158757 0.760544 -0.001374
C 6.027371 -1.628079 0.000044
C -3.542837 -0.890038 -0.000047
C -3.123418 1.532350 -0.000749
C -4.935567 -0.653306 0.000268
C -4.516272 1.740163 -0.000429
C -5.440515 0.670255 0.000078
C -7.182914 -1.633285 0.001137
H 2.653268 -2.320227 -0.001061
H 1.048846 -0.966737 -0.001445
H 6.939398 0.352851 0.000649
H -1.052111 -1.134166 -0.000555
H 4.856987 -3.470455 -0.000608
H -3.196321 -1.930362 0.000108
H 6.988451 -2.153291 0.000240
H -2.422823 2.367502 -0.001120
H -4.894602 2.768531 -0.000575
H -6.514709 0.873187 0.000315
H -7.521888 -1.091846 0.905703
H -7.598295 -2.651799 0.001518
H -7.522413 -1.092310 -0.903510


