%chk=000217075.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217075

0 1
S 2.184785 -1.547140 1.968410
S -0.313834 -0.364503 -0.289997
S 4.063366 1.352306 2.172215
P 3.067301 0.125050 1.116129
O -2.928745 -0.089026 -0.666714
O 1.708159 0.697792 0.327258
O 3.852762 -0.625397 -0.142794
O -5.759665 1.284087 0.006941
N -0.925098 -2.797118 0.395240
N -2.109121 -2.230489 0.093666
C 1.524756 -2.418237 0.490241
C 0.134910 -2.014547 0.261003
C -4.329690 -0.586693 -0.624610
C -5.131067 0.621076 -1.098215
C -1.987280 -0.949258 -0.297300
C 1.858214 1.987416 -0.322712
C 5.103488 -0.057729 -0.592762
C -4.872236 2.110464 0.788412
H 1.592566 -3.509929 0.732706
H 2.166172 -2.276117 -0.410931
H -4.396658 -1.462583 -1.290537
H -4.560739 -0.878875 0.416142
H -6.005644 0.314133 -1.706779
H -4.500792 1.323668 -1.676297
H 2.264996 2.747309 0.358205
H 0.823464 2.255206 -0.583538
H 2.459465 1.882261 -1.232551
H 5.410689 -0.774611 -1.369883
H 5.850982 -0.035629 0.211887
H 4.955093 0.935170 -1.030830
H -4.567409 2.984692 0.206442
H -4.001533 1.540795 1.128212
H -5.504959 2.403257 1.635141


%chk=000217075-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217075

0 1
S 2.195768 -1.352639 1.720904
S -0.663041 0.090992 -0.338096
S 4.422435 1.538230 2.399245
P 3.414755 0.420584 0.994319
O -3.404761 -0.031198 -0.525418
O 2.204669 1.159872 -0.003464
O 4.374170 -0.215846 -0.326302
O -6.248732 0.911435 0.472983
N -0.916753 -2.566223 -0.060160
N -2.233791 -2.096357 -0.209930
C 1.462529 -1.903472 0.022446
C 0.009882 -1.609263 -0.103675
C -4.697300 -0.804231 -0.509255
C -5.834367 0.191017 -0.725915
C -2.274280 -0.768737 -0.363047
C 2.545963 2.431028 -0.689334
C 5.690090 -0.810788 -0.005985
C -5.340045 1.992436 0.875339
H 1.611327 -2.993864 -0.011115
H 2.078073 -1.417063 -0.749909
H -4.648264 -1.557028 -1.317682
H -4.782028 -1.321890 0.462270
H -6.731046 -0.379029 -1.029735
H -5.564402 0.891797 -1.546257
H 2.874946 3.187648 0.045496
H 1.605821 2.745317 -1.165843
H 3.328637 2.260297 -1.448266
H 6.169828 -0.974171 -0.982372
H 5.561461 -1.773300 0.521923
H 6.293363 -0.118759 0.609544
H -5.150567 2.689467 0.032304
H -4.370102 1.604018 1.239168
H -5.857542 2.526521 1.687618


