%chk=000205785.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205785

0 1
O -4.977448 -1.051373 1.947590
N -5.463360 -0.177238 -0.104427
N 2.962171 -1.308099 -0.960110
N 0.776928 -1.610173 -0.944992
N -5.544424 2.892927 -0.922229
N 1.753419 -0.948630 -0.469886
N -7.922523 2.780025 -1.349753
N 7.864922 1.653370 2.011080
N 8.552739 1.822748 -0.306430
C -6.860303 0.144684 0.262428
C -7.046474 1.633746 0.603121
C -3.186844 -0.943652 0.353018
C -4.592331 -0.741571 0.831252
C -2.911557 -1.510707 -0.899551
C -2.138723 -0.589118 1.214055
C -6.890462 2.509348 -0.620958
C -0.540647 -1.322261 -0.447886
C -1.592505 -1.701835 -1.306416
C -0.814019 -0.768622 0.816537
C 4.122628 -0.583264 -0.542798
C 6.469207 0.726614 0.217114
C 4.057122 0.495563 0.358438
C 5.359926 -1.000982 -1.076865
C 5.232183 1.146747 0.728933
C 6.524644 -0.336932 -0.697790
C 7.727735 1.424600 0.606580
H -7.159673 -0.476126 1.143515
H -7.524476 -0.139446 -0.586820
H -8.070792 1.777033 1.021131
H -6.354613 1.934416 1.414298
H -5.120525 0.234599 -0.969848
H -3.728383 -1.817513 -1.555239
H -2.365496 -0.182127 2.202781
H -1.367350 -2.147180 -2.276662
H 0.001685 -0.491028 1.484135
H 3.097699 0.825849 0.757844
H 5.416469 -1.825320 -1.784698
H 5.185768 1.996486 1.414291
H 7.486919 -0.635421 -1.122776
H 3.070194 -2.059580 -1.657185
H -4.871113 2.873860 -0.170406
H -5.409809 3.686369 -1.532138
H -7.830977 3.351613 -2.181999
H 7.349228 1.053579 2.637638
H 8.784022 1.878284 2.360904
H 9.405522 2.307238 -0.049021


%chk=000205785-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205785

0 1
O -4.597757 0.169974 2.243279
N -5.558674 -0.246131 0.168856
N 2.999806 -0.628992 -1.218727
N 0.800755 -0.817077 -1.270742
N -6.386190 2.425578 -1.352487
N 1.829262 -0.403687 -0.561602
N -8.713976 1.740010 -1.480073
N 8.294596 0.936912 2.256983
N 9.175946 0.755651 0.009427
C -6.934770 -0.091436 0.665604
C -7.469490 1.367436 0.591256
C -3.103075 -0.307935 0.385489
C -4.461398 -0.112122 1.007720
C -2.888021 -0.931236 -0.872781
C -1.976205 0.144859 1.125655
C -7.572759 1.882829 -0.838610
C -0.464703 -0.609926 -0.645335
C -1.584884 -1.078776 -1.382816
C -0.673648 0.004275 0.624999
C 4.248198 -0.278074 -0.666589
C 6.811181 0.385422 0.375179
C 4.355656 0.346744 0.602629
C 5.422415 -0.557814 -1.418289
C 5.628509 0.671270 1.108219
C 6.683583 -0.226132 -0.899584
C 8.184340 0.707989 0.880217
H -6.939687 -0.414025 1.720419
H -7.599831 -0.752572 0.082389
H -8.484673 1.381376 1.019876
H -6.821715 2.016727 1.208635
H -5.419351 -0.329367 -0.838162
H -3.724624 -1.341481 -1.450597
H -2.163047 0.599502 2.104180
H -1.403139 -1.563987 -2.347071
H 0.188939 0.356764 1.197714
H 3.449167 0.576556 1.167308
H 5.342707 -1.033947 -2.403419
H 5.681397 1.193295 2.070811
H 7.601360 -0.420185 -1.462347
H 2.942841 -1.074366 -2.148672
H -5.568625 2.544473 -0.756802
H -6.358184 2.825667 -2.289278
H -8.685073 2.090424 -2.462221
H 7.536215 0.719679 2.899009
H 9.192155 1.201494 2.657198
H 10.100771 0.955860 0.442950


