%chk=000216364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216364

0 1
O -0.489102 0.965609 2.797405
N -2.029567 -1.892793 -0.311010
N -1.498723 -2.815338 0.548960
N 4.154908 0.185816 -1.157689
C -0.105155 0.574024 1.468693
C -0.676314 -0.765678 1.090805
C -0.795401 1.499700 0.434865
C 1.423284 0.665650 1.495498
C -1.554080 -0.636101 -0.028000
C -1.647362 0.754723 -0.449044
C 2.050269 0.349097 0.136547
C -0.665139 -2.136683 1.422837
C -0.684988 2.867233 0.299505
C 3.585557 0.399716 0.215256
C -2.363441 1.381761 -1.451927
C -2.935351 -2.307716 -1.404920
C 0.076073 -2.822042 2.500049
C -1.417684 3.508299 -0.723985
C -2.236730 2.780912 -1.581464
C -2.226906 -2.241152 -2.753652
C 4.078926 -1.252295 -1.553727
C 5.572127 0.656796 -1.210726
H 1.713705 1.678862 1.839449
H 1.798498 -0.030495 2.273548
H 1.714051 -0.647635 -0.213702
H 1.694830 1.065842 -0.632454
H -0.049569 3.447064 0.967615
H -1.443517 0.801770 2.943199
H 3.900685 1.404070 0.573791
H 3.958693 -0.333409 0.960853
H -3.007829 0.823574 -2.124430
H -3.290093 -3.348548 -1.200437
H -3.831048 -1.644247 -1.390958
H -0.318267 -3.830830 2.698117
H 1.139316 -2.931438 2.235821
H 0.027473 -2.249948 3.439546
H -1.333361 4.588163 -0.837497
H -2.792192 3.291847 -2.366835
H -1.842051 -1.235765 -2.971433
H -2.904693 -2.522933 -3.568257
H -1.366798 -2.925575 -2.790399
H 3.025700 -1.577570 -1.526401
H 4.666543 -1.938105 -0.926840
H 4.421610 -1.352988 -2.595569
H 6.256903 0.151950 -0.514572
H 5.596734 1.738553 -1.003160
H 5.956875 0.518756 -2.233868


%chk=000216364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216364

0 1
O -0.452927 1.008931 2.879298
N -2.061072 -1.862668 -0.300123
N -1.522724 -2.829185 0.571090
N 4.265353 0.220503 -1.149844
C -0.122067 0.605696 1.483523
C -0.702111 -0.746682 1.095271
C -0.826825 1.528449 0.450346
C 1.421478 0.694144 1.443239
C -1.572468 -0.613220 -0.001841
C -1.679412 0.783880 -0.432055
C 2.057504 0.345728 0.082026
C -0.687390 -2.131796 1.424414
C -0.724942 2.919864 0.328825
C 3.597108 0.398527 0.161909
C -2.411102 1.435426 -1.445385
C -2.949154 -2.294643 -1.388017
C 0.061266 -2.864442 2.502847
C -1.466366 3.580623 -0.688510
C -2.295558 2.843742 -1.566290
C -2.207447 -2.456423 -2.731254
C 4.071985 -1.124948 -1.727211
C 5.696212 0.582415 -1.087751
H 1.701920 1.722904 1.743830
H 1.805285 0.016369 2.230864
H 1.720452 -0.661314 -0.228823
H 1.724332 1.057032 -0.696599
H -0.088020 3.490238 1.013592
H -1.435735 0.931664 2.991300
H 3.895900 1.392221 0.550841
H 3.952844 -0.360314 0.911851
H -3.058481 0.877640 -2.131048
H -3.384045 -3.255513 -1.067945
H -3.770781 -1.560788 -1.481658
H -0.273429 -3.913628 2.551433
H 1.150560 -2.859318 2.309518
H -0.098432 -2.392349 3.488633
H -1.395373 4.668629 -0.795258
H -2.856866 3.367046 -2.348407
H -1.761080 -1.501457 -3.061631
H -2.909432 -2.798721 -3.513104
H -1.400452 -3.202832 -2.635784
H 2.999966 -1.323821 -1.892436
H 4.481867 -1.943866 -1.079739
H 4.578840 -1.179231 -2.707380
H 6.296048 -0.079082 -0.409828
H 5.801987 1.622126 -0.729350
H 6.140180 0.522951 -2.097976


