%chk=000210926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210926

0 1
O -7.064955 -1.147316 1.691164
N 0.531810 0.596265 0.860988
N 3.396818 0.161123 0.892719
N -4.486259 -1.610103 0.545299
N -2.706472 -0.019400 0.749931
N -1.751465 0.962296 -1.244863
N -3.721090 -0.497166 -1.424444
N -2.824605 0.585948 -3.325587
C 1.395529 1.052130 -0.276933
C 1.307002 0.641991 2.143793
C 2.617276 0.121235 -0.389376
C 2.524626 -0.297585 2.025446
C -0.714971 1.418959 0.958071
C 4.621647 -0.703604 0.803068
C -1.771185 0.738370 0.104862
C 5.603035 -0.136859 -0.195890
C -4.675756 -1.574381 2.024016
C -5.729511 -2.023010 -0.166711
C -3.648083 -0.664488 -0.049820
C -5.885208 -0.701610 2.393199
C -6.913037 -1.138342 0.256233
C 6.213220 -0.982418 -1.133720
C 5.933933 1.226955 -0.171244
C -2.754959 0.329222 -1.971211
C 7.150000 -0.466825 -2.034715
C 6.867274 1.737118 -1.075789
C 7.478995 0.891440 -2.007942
H 0.795651 0.992599 -1.213793
H 1.733435 2.105313 -0.167345
H 1.649830 1.666335 2.406740
H 0.648892 0.282819 2.964195
H 2.283540 -0.904350 -0.659209
H 3.278374 0.481068 -1.208117
H 3.114360 -0.248226 2.965110
H 2.172938 -1.345980 1.904380
H -0.590270 2.473350 0.619588
H -1.076306 1.457966 2.013518
H 4.384754 -1.764745 0.566011
H 5.110156 -0.708353 1.806834
H -3.750697 -1.211287 2.530997
H -4.835691 -2.625787 2.355878
H -5.920722 -3.086808 0.103767
H -5.581670 -1.990435 -1.271084
H -6.182995 -0.821973 3.450059
H -5.710551 0.365058 2.168043
H -6.795661 -0.096415 -0.089735
H -7.882662 -1.543562 -0.083974
H 5.961906 -2.040133 -1.165027
H 5.445783 1.882621 0.551571
H 7.623039 -1.126755 -2.759481
H 7.119778 2.795718 -1.054854
H 8.207708 1.290392 -2.709661
H -3.442259 0.036787 -3.902975
H -2.060771 1.067737 -3.775283


%chk=000210926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210926

0 1
O -7.043251 -1.942277 1.763112
N 0.533474 0.769034 0.928412
N 3.359793 0.143443 0.865072
N -4.587408 -1.222574 0.471407
N -2.700642 0.171827 0.730114
N -1.784988 1.289820 -1.218726
N -3.745433 -0.154723 -1.453983
N -2.817587 0.957590 -3.294665
C 1.339217 0.995461 -0.297503
C 1.375347 0.916201 2.139281
C 2.514669 0.009759 -0.349165
C 2.550305 -0.074748 2.088077
C -0.704800 1.588587 0.979469
C 4.566298 -0.712786 0.820942
C -1.795703 0.983439 0.114333
C 5.595775 -0.248292 -0.206791
C -4.589910 -1.542465 1.913002
C -5.663597 -1.864908 -0.307906
C -3.658635 -0.384034 -0.099623
C -5.980489 -1.233655 2.501534
C -7.024882 -1.547487 0.342639
C 6.372111 -1.189944 -0.925749
C 5.825495 1.134444 -0.421856
C -2.788507 0.683274 -1.951504
C 7.367770 -0.762219 -1.834616
C 6.815506 1.565096 -1.332078
C 7.593595 0.618156 -2.040236
H 0.690258 0.862238 -1.179346
H 1.741543 2.040855 -0.324545
H 1.786491 1.953808 2.236780
H 0.757780 0.702678 3.031366
H 2.112247 -1.030273 -0.445915
H 3.136110 0.221567 -1.237677
H 3.196214 0.075607 2.974272
H 2.137027 -1.114523 2.129663
H -0.526506 2.641006 0.652737
H -1.073142 1.595170 2.019037
H 4.314173 -1.787499 0.626674
H 5.025969 -0.677206 1.830095
H -3.800055 -0.948654 2.399362
H -4.366321 -2.620572 2.044054
H -5.503646 -2.962208 -0.310089
H -5.613143 -1.491876 -1.342867
H -6.058341 -1.591998 3.541048
H -6.168484 -0.138553 2.469827
H -7.240274 -0.460635 0.252027
H -7.834559 -2.125447 -0.132381
H 6.195377 -2.262955 -0.776363
H 5.205998 1.853815 0.125293
H 7.960269 -1.502873 -2.384151
H 6.982078 2.637155 -1.490055
H 8.362504 0.952050 -2.746369
H -3.534423 0.533558 -3.877357
H -2.115167 1.582643 -3.681418


