%chk=000251484.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251484

0 1
S 3.599966 0.999325 0.001044
O -1.995151 2.601176 0.001367
O -3.265535 -1.843023 -0.000156
N -1.001916 -1.431665 0.000073
N -2.633857 0.385581 0.000586
N 0.929376 1.588536 0.001114
N 1.389863 -0.663275 0.000291
C -0.305588 0.910936 0.000728
C 0.008715 -0.476897 0.000307
C -1.649078 1.437785 0.000767
C -2.373656 -1.016493 0.000126
C 1.907449 0.609503 0.000804
C -0.669608 -2.876717 -0.000762
C -4.073607 0.767854 0.000892
C 4.389043 -0.651083 0.001023
C 5.876549 -0.388126 0.001201
H 1.027260 2.590615 0.001426
H -0.078045 -3.132172 -0.897818
H -1.597992 -3.480446 0.000301
H -0.075700 -3.132586 0.894636
H -4.578410 0.364496 0.895719
H -4.578769 0.364565 -0.893763
H -4.170669 1.870308 0.000955
H 4.058938 -1.225899 0.889517
H 4.059128 -1.225784 -0.887620
H 6.209417 0.170346 -0.885648
H 6.209230 0.170208 0.888206
H 6.435247 -1.337067 0.001184


%chk=000251484-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251484

0 1
S 3.624561 1.117728 0.001186
O -2.059910 2.666874 0.001453
O -3.257649 -1.905479 -0.000330
N -0.965907 -1.392396 0.000106
N -2.639447 0.356015 0.000639
N 0.878512 1.644495 0.001233
N 1.377516 -0.580462 0.000525
C -0.347084 0.959082 0.000994
C -0.001930 -0.398112 0.000502
C -1.694974 1.450024 0.001155
C -2.340161 -1.035270 0.000134
C 1.880127 0.685842 0.000973
C -0.583127 -2.816562 -0.000488
C -4.081175 0.695233 0.000610
C 4.362681 -0.637553 0.000853
C 5.892510 -0.524804 0.000990
H 0.980610 2.659290 0.001574
H 0.015450 -3.048281 -0.897482
H -1.510040 -3.408251 0.000357
H 0.017320 -3.048414 0.895203
H -4.570237 0.272665 0.893497
H -4.570097 0.273075 -0.892544
H -4.158149 1.792470 0.000873
H 3.973781 -1.146927 0.895458
H 3.973909 -1.146533 -0.894031
H 6.263532 0.003494 -0.894980
H 6.263402 0.003091 0.897250
H 6.328577 -1.540332 0.000792


