%chk=000220572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220572

0 1
O -5.502554 -0.890517 0.730850
O -5.348469 1.266278 0.733648
N 2.936520 -0.124568 -0.589355
N -4.888122 0.149831 0.552479
C 3.934288 0.042053 0.513921
C 5.353463 -0.040178 -0.069865
C 1.538993 -0.189266 -0.064627
C 0.570897 -0.237035 -1.263195
C 6.410960 0.223902 1.009949
C -0.851306 -0.138451 -0.794994
C 7.825632 0.138671 0.442111
C -1.606132 -1.303773 -0.571817
C -1.432447 1.122624 -0.569504
C -2.924967 -1.215554 -0.132707
C -2.749801 1.223215 -0.130410
C -3.492261 0.050366 0.086899
H 3.811531 -0.702623 1.329817
H 3.770101 1.045270 0.967913
H 5.458786 0.695780 -0.893341
H 5.525240 -1.030588 -0.532247
H 1.355444 -1.054879 0.607938
H 1.346907 0.729268 0.535024
H 0.733979 -1.160898 -1.854175
H 0.816863 0.593471 -1.963472
H 3.146491 -0.976561 -1.121095
H 6.297216 -0.502417 1.838519
H 6.249805 1.224273 1.458631
H 8.575687 0.334689 1.216862
H 8.036480 -0.852746 0.025338
H 7.984162 0.870374 -0.358839
H -1.159519 -2.283130 -0.743045
H -0.847672 2.027622 -0.740235
H -3.523388 -2.116324 0.043111
H -3.213606 2.199923 0.047013


%chk=000220572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220572

0 1
O -5.552378 -0.973510 0.842131
O -5.478773 1.299715 0.669007
N 2.945025 -0.164564 -0.533768
N -4.941413 0.129551 0.558606
C 3.962213 -0.011922 0.531810
C 5.386896 -0.011327 -0.055562
C 1.547089 -0.159655 -0.066444
C 0.571272 -0.183876 -1.275821
C 6.481219 0.146831 1.024401
C -0.877823 -0.108218 -0.834321
C 7.907242 0.150428 0.432735
C -1.603294 -1.285480 -0.505948
C -1.525190 1.149287 -0.693493
C -2.933321 -1.220183 -0.048981
C -2.854237 1.240081 -0.238503
C -3.541684 0.047876 0.079828
H 3.887769 -0.807835 1.316820
H 3.775953 0.953785 1.043415
H 5.464301 0.806642 -0.797957
H 5.558631 -0.959396 -0.609440
H 1.299652 -1.009873 0.619014
H 1.381880 0.769280 0.513891
H 0.746625 -1.113046 -1.853568
H 0.832428 0.665659 -1.931856
H 3.145608 -0.984750 -1.124714
H 6.389293 -0.674204 1.764560
H 6.309312 1.089957 1.582018
H 8.672411 0.260408 1.222864
H 8.114079 -0.791769 -0.109289
H 8.037676 0.983822 -0.282874
H -1.120395 -2.263165 -0.617434
H -0.979249 2.064630 -0.949142
H -3.504299 -2.117315 0.204480
H -3.365314 2.200237 -0.129363


