%chk=000199057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199057

0 1
N 2.998447 -0.019304 -0.079064
N 2.941577 1.366733 0.033414
N -0.584644 0.589009 0.070956
N -1.262238 -0.471187 0.064543
N 5.394854 0.054577 0.364884
N 4.334492 -1.833269 -0.752054
C 1.712224 -0.594359 -0.094398
C 0.814761 0.490920 0.023565
C 1.632927 1.696819 0.098017
C 1.460138 -2.033327 -0.211426
C 1.149461 3.084570 0.225070
C 4.299381 -0.656167 -0.213098
C -2.701260 -0.330774 0.094043
C -3.403416 0.730540 -0.503661
C -3.395798 -1.392635 0.704762
C -4.799944 0.723718 -0.489016
C -4.791055 -1.380167 0.715674
C -5.494223 -0.326635 0.119634
H 1.777585 -2.418105 -1.200606
H 2.029766 -2.622031 0.527889
H 0.389992 -2.277830 -0.087228
H 0.518514 3.197603 1.123122
H 1.969560 3.814872 0.290602
H 0.518276 3.358061 -0.637202
H 6.228892 0.093104 -0.212423
H 5.190181 0.973841 0.759919
H -2.858546 1.549301 -0.973064
H -2.842746 -2.212243 1.162829
H -5.348824 1.542043 -0.952999
H -5.334900 -2.196379 1.189328
H 5.216264 -2.334352 -0.813599
H -6.582501 -0.326047 0.129589


%chk=000199057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199057

0 1
N 2.990160 -0.055613 -0.065901
N 2.936430 1.364792 -0.092752
N -0.577935 0.554209 0.020369
N -1.260548 -0.567607 0.052336
N 5.292085 0.304529 -0.130727
N 4.383214 -1.966491 -0.068227
C 1.731891 -0.641968 -0.020299
C 0.819076 0.456617 -0.017633
C 1.620114 1.661726 -0.062638
C 1.467008 -2.112642 0.019409
C 1.139721 3.081443 -0.077843
C 4.300019 -0.658785 -0.088653
C -2.684358 -0.382163 0.093049
C -3.344934 0.879634 0.102949
C -3.447887 -1.578918 0.124800
C -4.750716 0.928530 0.144321
C -4.857043 -1.521171 0.166161
C -5.512995 -0.267845 0.176091
H 1.896365 -2.613719 -0.866258
H 1.972697 -2.580254 0.882361
H 0.381070 -2.272014 0.066868
H 0.527471 3.296491 0.815685
H 1.996321 3.774346 -0.103321
H 0.498766 3.268373 -0.957607
H 6.269929 0.034242 -0.151886
H 4.996503 1.285211 -0.140954
H -2.738592 1.790226 0.078059
H -2.914061 -2.535130 0.116142
H -5.262143 1.897985 0.152145
H -5.441479 -2.447401 0.190560
H 5.358301 -2.315755 -0.086865
H -6.607251 -0.219977 0.208263


