%chk=000213936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213936

0 1
O -0.460586 0.903289 1.027095
O 1.156833 2.580530 -1.347036
N 2.922228 0.189730 -1.377366
C -2.162631 -1.001644 1.924405
C -2.384019 -2.497445 2.128991
C -3.331840 -1.504330 2.765328
C -2.381860 -0.372937 0.598785
C -1.492165 0.634029 0.139958
C -3.440985 -0.724593 -0.243976
C -1.648098 1.257145 -1.100040
C 1.517657 1.812429 -0.180495
C 0.367929 2.069744 0.808627
C -3.615904 -0.103545 -1.487504
C 4.192937 0.018459 -0.605573
C 1.696883 0.326792 -0.542110
C -2.723123 0.881917 -1.911150
C 4.358262 -1.380255 0.040687
C 5.345969 0.286647 -1.585252
C 3.672968 -1.490347 1.398499
H -1.320713 -0.543036 2.471406
H -2.723663 -3.108622 1.296370
H -1.689194 -3.054555 2.751925
H -3.310391 -1.351909 3.841578
H -4.347628 -1.409548 2.389540
H -4.146106 -1.493604 0.071826
H -0.936697 2.015899 -1.441698
H 2.466847 2.251385 0.207960
H -0.247425 2.929881 0.480692
H 0.741928 2.244661 1.835626
H 4.215255 0.798762 0.198484
H 0.812175 -0.015955 -1.126005
H 1.704629 -0.290148 0.390627
H -4.450602 -0.392830 -2.120987
H 2.802625 -0.582926 -2.039993
H -2.857696 1.363387 -2.878976
H 5.436876 -1.605322 0.160686
H 3.975556 -2.163065 -0.641186
H 6.304825 0.348262 -1.061257
H 5.430870 -0.492541 -2.349749
H 5.194836 1.237984 -2.113084
H 4.119265 -0.812781 2.135102
H 2.599866 -1.244806 1.332548
H 3.750723 -2.506984 1.800733
H 1.743389 2.328094 -2.099239


%chk=000213936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213936

0 1
O -0.666892 0.552497 0.958070
O 1.360663 1.619865 -1.295502
N 3.050881 -0.283311 -0.725060
C -2.867125 -0.924140 1.849710
C -3.474825 -2.324817 2.093419
C -4.172112 -1.086468 2.659504
C -2.869215 -0.304675 0.486664
C -1.747064 0.458313 0.043627
C -3.957870 -0.441589 -0.412037
C -1.711192 1.051861 -1.238889
C 1.550220 1.478246 0.143893
C 0.233834 1.718248 0.904034
C -3.946405 0.157755 -1.690844
C 4.484919 0.141756 -0.656007
C 2.158488 0.061215 0.410730
C -2.819705 0.905070 -2.101924
C 5.428574 -1.023393 -0.246536
C 4.923124 0.759488 -2.003288
C 5.144099 -1.625559 1.146133
H -1.972464 -0.689427 2.430792
H -3.930658 -2.827385 1.234644
H -2.953450 -2.993681 2.784661
H -4.126452 -0.908198 3.737887
H -5.101691 -0.755165 2.186535
H -4.836127 -1.021364 -0.100885
H -0.803325 1.571115 -1.566496
H 2.259400 2.264268 0.496613
H -0.289055 2.589413 0.465749
H 0.466227 1.932693 1.964085
H 4.541590 0.927102 0.125604
H 1.326973 -0.664856 0.437716
H 2.669453 0.041629 1.394603
H -4.805419 0.038041 -2.360178
H 2.952006 -1.258172 -1.031822
H -2.791051 1.361970 -3.097576
H 6.473000 -0.654868 -0.281991
H 5.356846 -1.816767 -1.021040
H 5.968991 1.116096 -1.956963
H 4.854264 0.010961 -2.815355
H 4.273961 1.612149 -2.268817
H 5.258731 -0.864779 1.941184
H 4.117610 -2.031076 1.211885
H 5.843348 -2.451893 1.368890
H 2.004899 0.917131 -1.660617


