%chk=000213847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213847

0 1
N -1.307475 -1.796851 -0.073874
N -0.213893 0.305145 0.004430
N -1.491310 2.401345 0.035839
N 0.836449 2.478849 0.097159
C -2.667619 0.244805 -0.049718
C -1.368588 -0.406048 -0.037158
C -2.661311 1.673371 -0.011212
C -0.315332 1.696362 0.039906
C -3.919503 -0.431950 -0.091044
C -3.907387 2.387708 -0.019840
C -0.128653 -2.618174 -0.059609
C -5.099649 0.269356 -0.097682
C -5.088504 1.695943 -0.062326
C 2.198309 2.039586 0.107436
C -0.231457 -3.877619 -0.688214
C 1.057537 -2.240741 0.588934
C 3.138079 2.935029 0.665110
C 2.622454 0.819315 -0.443143
C 0.861014 -4.744580 -0.663064
C 2.140068 -3.123411 0.596971
C 2.048665 -4.372551 -0.023935
C 4.489820 2.593160 0.669841
C 3.980918 0.496748 -0.422751
C 4.917396 1.375282 0.129873
H -2.192924 -2.292422 -0.212757
H -3.932126 -1.522191 -0.115599
H -3.871066 3.477650 0.008294
H 0.675576 3.490247 0.196835
H -6.057044 -0.245447 -0.128709
H -6.042857 2.224655 -0.069460
H -1.144200 -4.175252 -1.197727
H 1.144798 -1.267264 1.079799
H 2.818431 3.881142 1.095177
H 1.905254 0.122049 -0.884483
H 0.786960 -5.717382 -1.148565
H 3.063208 -2.830372 1.097930
H 2.896924 -5.052988 -0.010459
H 5.216670 3.281421 1.100499
H 4.309894 -0.451102 -0.849010
H 5.972773 1.115178 0.138806


%chk=000213847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213847

0 1
N -1.264341 -1.793612 -0.234284
N -0.179835 0.295779 0.026448
N -1.445657 2.389146 0.168129
N 0.852624 2.439012 0.291349
C -2.636276 0.230560 -0.095341
C -1.323618 -0.414893 -0.095187
C -2.621199 1.670421 0.043597
C -0.294977 1.666618 0.150017
C -3.888917 -0.445025 -0.204067
C -3.864919 2.379427 0.052956
C -0.169842 -2.699394 -0.147179
C -5.093088 0.270034 -0.193201
C -5.075831 1.692861 -0.066321
C 2.231214 2.124869 0.215084
C -0.400078 -4.024739 -0.611883
C 1.093094 -2.365565 0.409044
C 3.144498 3.125575 0.655192
C 2.740303 0.904191 -0.304957
C 0.613736 -4.999038 -0.524595
C 2.099767 -3.351944 0.487651
C 1.875229 -4.668393 0.024025
C 4.534475 2.908904 0.580867
C 4.135320 0.700087 -0.368438
C 5.043287 1.690570 0.071869
H -2.156306 -2.241382 -0.447799
H -3.941673 -1.538652 -0.285092
H -3.824527 3.467841 0.155875
H 0.616080 3.420820 0.459468
H -6.047583 -0.259944 -0.276223
H -6.021400 2.246187 -0.058612
H -1.373437 -4.289472 -1.046351
H 1.269474 -1.352849 0.770914
H 2.759821 4.070969 1.059128
H 2.045186 0.142004 -0.657959
H 0.419229 -6.014141 -0.887894
H 3.068764 -3.082922 0.923268
H 2.665263 -5.423738 0.090128
H 5.220153 3.691636 0.924418
H 4.512618 -0.244429 -0.777732
H 6.123666 1.520621 0.016187


