%chk=000229523.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229523

0 1
N -0.532941 -0.837807 -2.059857
N -0.720818 -0.461955 0.349913
C -0.367323 0.098234 -3.210002
C -1.740225 -0.173212 -2.628485
C -0.031877 -0.508376 -0.741784
C 1.489260 -0.335004 -0.725963
C 1.859810 1.131107 -0.852479
C 2.159969 -0.965775 0.480081
C 2.861121 1.499390 -1.765058
C 3.074626 -2.010121 0.268578
C 1.232945 2.118560 -0.079395
C 1.906395 -0.524403 1.786222
C -2.129713 -0.642448 0.462709
C 3.225100 2.841286 -1.903637
C 3.729724 -2.600349 1.352564
C 1.599191 3.459409 -0.222957
C 2.562986 -1.119043 2.867234
C -2.775890 -1.808859 0.011062
C -2.858389 0.343952 1.155842
C 2.593452 3.824623 -1.135758
C 3.477111 -2.155248 2.653771
C -4.137844 -1.982151 0.253334
C -4.221207 0.161655 1.383668
C -4.872840 -0.999440 0.935588
C -6.330447 -1.195963 1.200571
H -0.061690 -0.368922 -4.151555
H 0.108159 1.073323 -3.071516
H -2.268462 0.602882 -2.068410
H -2.441361 -0.841417 -3.139913
H 1.876200 -0.875345 -1.641628
H 3.366180 0.740638 -2.360248
H 3.275279 -2.369230 -0.738754
H 0.463707 1.839915 0.643662
H 1.179500 0.270324 1.961259
H 4.005535 3.120402 -2.609812
H 4.436624 -3.409887 1.181981
H 1.109744 4.221164 0.382167
H 2.356934 -0.774684 3.879119
H -2.207268 -2.574688 -0.516474
H -2.352554 1.236800 1.518650
H 2.877994 4.869067 -1.244813
H 3.987096 -2.615710 3.496854
H -4.631797 -2.889887 -0.089237
H -4.781978 0.925108 1.920095
H -6.876119 -0.245275 1.259246
H -6.817990 -1.798273 0.422909
H -6.482407 -1.717268 2.157754


%chk=000229523-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229523

0 1
N -0.539358 -0.799047 -2.053317
N -0.749467 -0.277353 0.309119
C -0.284930 -0.091641 -3.342014
C -1.699580 -0.196353 -2.757211
C -0.043146 -0.423311 -0.782833
C 1.485501 -0.235080 -0.750856
C 1.874893 1.250712 -0.882663
C 2.135254 -0.920900 0.459958
C 3.035757 1.592450 -1.624082
C 2.816224 -2.149620 0.273255
C 1.133405 2.289219 -0.263359
C 2.068880 -0.367464 1.762621
C -2.131829 -0.549841 0.461113
C 3.449830 2.937228 -1.744568
C 3.420657 -2.816663 1.363266
C 1.544720 3.636034 -0.385686
C 2.671503 -1.031327 2.852966
C -2.792344 -1.670149 -0.123348
C -2.876326 0.279911 1.347312
C 2.703469 3.966683 -1.124801
C 3.350551 -2.257332 2.658923
C -4.147815 -1.932748 0.169359
C -4.235185 0.022096 1.607400
C -4.900904 -1.091468 1.026712
C -6.357660 -1.382700 1.344553
H -0.006599 -0.728225 -4.188265
H 0.211005 0.886101 -3.301742
H -2.140813 0.710018 -2.325929
H -2.418526 -0.902012 -3.185824
H 1.869872 -0.750000 -1.652070
H 3.622989 0.797228 -2.100526
H 2.869879 -2.590734 -0.730461
H 0.234118 2.034581 0.307985
H 1.540161 0.576230 1.922460
H 4.350387 3.181731 -2.319438
H 3.943565 -3.766230 1.201323
H 0.960588 4.427326 0.098322
H 2.610620 -0.593543 3.855920
H -2.232140 -2.345003 -0.779102
H -2.361690 1.119587 1.826718
H 3.021293 5.011297 -1.217422
H 3.818810 -2.769623 3.507173
H -4.630814 -2.809695 -0.280024
H -4.787961 0.685769 2.284522
H -6.985436 -0.478497 1.237510
H -6.769160 -2.160841 0.678257
H -6.478746 -1.739705 2.385893


