%chk=000256902.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256902

0 1
S 5.299857 -0.114379 -0.199236
O 5.891806 0.908136 0.634871
O 5.757304 -1.487049 -0.158396
O -3.853462 2.611811 -0.544590
N -0.599843 -0.028718 0.666566
N -1.362066 -1.253946 0.476601
N -1.329172 1.055288 0.233881
N -3.786957 -1.523194 0.121913
N 5.514952 0.409451 -1.819905
N -4.968097 0.598315 -0.466785
N -6.094494 -1.455894 -0.390416
C 0.823909 -0.068156 0.364864
C 3.580976 -0.092986 0.012725
C -2.688421 -0.813635 0.217581
C 1.562688 1.100354 0.625229
C 1.448297 -1.244443 -0.078384
C -2.566388 0.668830 0.015748
C 2.946219 1.075681 0.446620
C 2.835508 -1.245675 -0.247240
C -3.833797 1.426533 -0.357065
C -4.941873 -0.728461 -0.257297
H -1.197019 -1.967356 1.199761
H 1.062529 2.014752 0.957954
H 0.876283 -2.142634 -0.311954
H 3.533862 1.978027 0.660979
H 3.336576 -2.164046 -0.580870
H 5.947874 1.316305 -1.982951
H 5.871153 -0.257388 -2.501480
H -6.099193 -2.453414 -0.243373
H -6.956113 -0.995610 -0.652050


%chk=000256902-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256902

0 1
S 5.419827 -0.026281 0.038351
O 5.870496 1.286356 0.888746
O 5.910635 -1.543450 0.370185
O -3.980512 2.703278 0.097741
N -0.644424 -0.089168 0.012964
N -1.464704 -1.236498 -0.045405
N -1.404354 1.053896 0.051693
N -3.889722 -1.543077 -0.049949
N 5.870221 0.274743 -1.716680
N -5.117959 0.637673 0.028190
N -6.217778 -1.414130 -0.037136
C 0.770643 -0.097124 0.000059
C 3.541537 -0.046750 0.002569
C -2.785152 -0.807208 -0.028025
C 1.445301 1.134995 0.214281
C 1.490985 -1.302408 -0.208863
C -2.693646 0.646627 0.026331
C 2.850209 1.158751 0.214791
C 2.899561 -1.275699 -0.205213
C -3.962189 1.439179 0.054412
C -5.043281 -0.708922 -0.017350
H -1.093073 -2.182700 0.011267
H 0.861263 2.043537 0.376792
H 0.987727 -2.256498 -0.394406
H 3.397982 2.087020 0.404078
H 3.485012 -2.189998 -0.342296
H 6.312733 1.205647 -1.789717
H 6.483220 -0.497465 -2.026550
H -6.193505 -2.430340 -0.071083
H -7.094155 -0.897487 -0.016476


