%chk=000233137.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233137

0 1
N -1.202087 -1.406545 0.026976
N -0.832938 1.422015 -0.032181
N 1.530036 1.120177 -0.023035
N 3.870644 0.777681 -0.200097
N 2.497876 -1.153296 0.014825
N 1.152636 -3.063753 0.050345
C -4.705585 -0.198229 -0.361182
C -4.533690 1.161227 0.324580
C -3.616725 -1.177007 0.091347
C -3.212870 1.817330 -0.087414
C -2.238982 -0.577793 0.020668
C -2.044207 0.874624 -0.019782
C 0.062028 -0.854823 0.005447
C 0.280606 0.568101 -0.017949
C 1.247567 -1.695060 0.020775
C 2.600584 0.242958 -0.036391
C 4.071936 2.232280 0.008244
C 5.056553 -0.071883 0.063001
H -4.669500 -0.074472 -1.461584
H -5.703622 -0.618510 -0.134580
H -4.566718 1.036852 1.425179
H -5.377417 1.830065 0.068623
H -3.659823 -2.104862 -0.518142
H -3.805449 -1.501503 1.138403
H -3.013203 2.715193 0.539493
H -3.282835 2.208355 -1.128202
H 0.248922 -3.511816 0.072535
H 1.979827 -3.637257 0.068725
H 4.977886 2.558471 -0.525559
H 4.159358 2.495929 1.074698
H 3.211509 2.801723 -0.404248
H 5.945800 0.380837 -0.403401
H 4.913132 -1.075618 -0.384665
H 5.243951 -0.210093 1.140550


%chk=000233137-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233137

0 1
N -1.162933 -1.408292 0.016424
N -0.806634 1.433612 -0.012787
N 1.551574 1.134097 0.018748
N 3.874146 0.776205 0.052739
N 2.506861 -1.143137 0.050094
N 1.097710 -3.032867 0.049995
C -4.727259 -0.209816 -0.410985
C -4.560586 1.142915 0.317908
C -3.618647 -1.194885 0.023832
C -3.223196 1.808907 -0.075078
C -2.233323 -0.572773 -0.002422
C -2.036010 0.860683 -0.019556
C 0.079520 -0.835710 0.021556
C 0.293944 0.588874 0.009219
C 1.269909 -1.676609 0.040016
C 2.595145 0.250571 0.040018
C 4.093045 2.229176 0.046546
C 5.071320 -0.072229 0.076212
H -4.676466 -0.044366 -1.505917
H -5.719268 -0.649640 -0.197139
H -4.590811 0.974536 1.413202
H -5.398105 1.822831 0.074250
H -3.611922 -2.101480 -0.609015
H -3.824570 -1.544044 1.057158
H -2.996160 2.683140 0.560938
H -3.292196 2.199099 -1.111443
H 0.141286 -3.388745 0.045014
H 1.905581 -3.650189 0.065422
H 4.666333 2.528976 -0.852899
H 4.666141 2.535013 0.943897
H 3.114210 2.729126 0.043301
H 5.705446 0.132951 -0.808939
H 4.760582 -1.125514 0.069622
H 5.670538 0.130881 0.986073


