%chk=000208252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208252

0 1
O -0.812648 -1.568939 -0.183628
N 4.752597 -0.649601 -2.146704
N 1.667944 0.353791 -0.591083
C 3.723246 -0.962705 0.222227
C 3.149104 0.328121 -0.444829
C 5.255936 -0.798472 0.323047
C 3.413749 -2.189524 -0.661351
C 3.784180 0.459421 -1.863185
C 5.832985 -0.627752 -1.103344
C 4.024893 -1.961141 -2.064278
C 0.944823 0.392591 0.715374
C -0.541121 0.731133 0.439687
C -1.225131 1.065007 1.743420
C -1.243724 -0.436231 -0.261338
C -1.463500 2.406352 2.079559
C -1.603707 0.047663 2.632827
C -2.451925 -0.125850 -1.083920
C -2.082042 2.723649 3.291917
C -2.223661 0.371246 3.842111
C -3.309371 0.942628 -0.788924
C -2.729974 -0.959682 -2.180062
C -2.465192 1.708375 4.173917
C -4.428922 1.181309 -1.590929
C -3.844687 -0.713634 -2.984480
C -4.694341 0.358005 -2.690300
H 3.285992 -1.099753 1.231981
H 3.443473 1.212692 0.172711
H 5.699742 -1.678726 0.818216
H 5.512189 0.068286 0.954575
H 2.324381 -2.357455 -0.727713
H 3.828288 -3.102429 -0.200749
H 3.010118 0.462996 -2.659340
H 4.315965 1.426764 -1.956345
H 6.385781 0.328169 -1.196560
H 6.556118 -1.434523 -1.336910
H 4.738411 -2.769039 -2.322243
H 3.239821 -1.972548 -2.846616
H 1.353474 -0.466581 -1.128936
H 1.385663 1.186760 1.356307
H 1.007439 -0.563873 1.281115
H -0.564813 1.615579 -0.253824
H -1.161005 3.203048 1.401849
H -1.412956 -0.996866 2.380404
H -2.264428 3.765863 3.550047
H -2.518783 -0.421935 4.528044
H -3.117842 1.585565 0.071838
H -2.069380 -1.804279 -2.391858
H -2.948429 1.957838 5.116457
H -5.095839 2.009805 -1.357764
H -4.053642 -1.358467 -3.836615
H -5.565351 0.549850 -3.316302


%chk=000208252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208252

0 1
O -0.744009 -1.449448 -0.688835
N 4.835905 -0.888734 -2.096767
N 1.683438 0.218260 -0.682684
C 3.872281 -0.738637 0.310303
C 3.157446 0.315058 -0.607006
C 5.391641 -0.415467 0.329533
C 3.655988 -2.169125 -0.252776
C 3.774377 0.159004 -2.047147
C 5.931173 -0.531887 -1.144537
C 4.249501 -2.209000 -1.708574
C 0.945463 0.350235 0.586072
C -0.534801 0.755852 0.337222
C -1.265704 0.953048 1.670112
C -1.248349 -0.292310 -0.543713
C -1.462836 2.255939 2.194315
C -1.693463 -0.162750 2.435672
C -2.539698 0.059968 -1.223037
C -2.078112 2.443778 3.452059
C -2.312639 0.022894 3.691674
C -3.173594 1.322625 -1.065931
C -3.140052 -0.913614 -2.068643
C -2.507418 1.326110 4.205032
C -4.379965 1.602806 -1.741451
C -4.343039 -0.632721 -2.744135
C -4.966722 0.628676 -2.582736
H 3.465214 -0.673067 1.336638
H 3.398397 1.320153 -0.202258
H 5.916610 -1.120238 1.002667
H 5.555756 0.603174 0.732708
H 2.579131 -2.424863 -0.252286
H 4.159702 -2.904403 0.403160
H 2.978289 -0.119415 -2.763052
H 4.211401 1.111132 -2.397031
H 6.375653 0.421798 -1.483631
H 6.713911 -1.308232 -1.223252
H 5.046124 -2.970190 -1.795898
H 3.470463 -2.461203 -2.451531
H 1.375210 -0.621666 -1.192917
H 1.420113 1.150419 1.186122
H 0.955324 -0.575061 1.206790
H -0.518996 1.714869 -0.215075
H -1.125625 3.126762 1.617015
H -1.547107 -1.176700 2.044319
H -2.221970 3.457188 3.843806
H -2.642555 -0.847803 4.269708
H -2.740367 2.081463 -0.408028
H -2.637537 -1.880343 -2.178202
H -2.987865 1.469365 5.179329
H -4.863762 2.577040 -1.612315
H -4.795736 -1.388362 -3.395325
H -5.902697 0.850122 -3.107987


