%chk=000179557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179557

1 1
N -3.530034 0.000081 -0.010201
N 4.951050 0.000043 0.003154
C -0.694361 0.000040 -0.002853
C 0.740549 0.000040 -0.001368
C -1.454936 1.206510 0.008407
C -1.454909 -1.206439 -0.015472
C -2.835251 1.198029 0.006098
C -2.835220 -1.197944 -0.017589
C 1.481975 1.217186 0.011234
C 1.482002 -1.217102 -0.012554
C 3.581824 0.000043 0.001623
C 2.857696 1.231737 0.012901
C 2.857724 -1.231651 -0.011257
C -5.010272 -0.000138 0.005691
H -0.931758 2.172083 0.019209
H -0.931705 -2.172022 -0.023818
H -3.417715 2.132938 0.017075
H -3.417673 -2.132896 -0.025058
H 0.941020 2.169920 0.019842
H 0.941069 -2.169836 -0.022484
H 3.398717 2.177616 0.022750
H 3.398767 -2.177529 -0.020050
H -5.394965 -0.011590 1.046796
H -5.427817 0.893533 -0.498696
H -5.427719 -0.882541 -0.518249
H 5.482780 -0.856637 -0.004781
H 5.482761 0.856726 0.012051


%chk=000179557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179557

1 1
N -3.576358 0.000143 -0.018707
N 5.008314 0.000032 0.007172
C -0.705850 0.000037 -0.005370
C 0.751040 0.000035 -0.002891
C -1.484213 1.212107 0.003921
C -1.484199 -1.212002 -0.019591
C -2.872433 1.190487 -0.001975
C -2.872419 -1.190292 -0.025014
C 1.505200 1.222022 0.010763
C 1.505250 -1.221949 -0.013528
C 3.634507 0.000032 0.003842
C 2.898792 1.231716 0.014272
C 2.898844 -1.231648 -0.010316
C -5.061263 -0.000245 0.018320
H -1.004903 2.192010 0.013393
H -1.004867 -2.191895 -0.029223
H -3.466403 2.106238 0.006939
H -3.466391 -2.106039 -0.033876
H 0.994185 2.189699 0.019010
H 0.994273 -2.189618 -0.024614
H 3.440048 2.184217 0.025023
H 3.440144 -2.184147 -0.018744
H -5.420574 -0.011456 1.061539
H -5.446470 0.898007 -0.487735
H -5.446549 -0.887358 -0.506984
H 5.537971 -0.870647 -0.000444
H 5.537925 0.870715 0.017219


