%chk=000232849.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232849

0 1
N -0.813096 1.550364 -0.168874
N -0.343492 -0.678442 0.086324
C 0.857072 0.037366 0.003666
C 0.583756 1.428826 -0.158563
C 2.211760 -0.428672 0.059437
C 3.235754 0.549161 -0.057161
C -1.335906 0.236921 -0.016183
C 1.619536 2.397998 -0.274160
C 2.909425 1.949006 -0.222724
C -2.775133 -0.039288 0.008110
C 2.548133 -1.799057 0.223479
C 4.592772 0.120389 -0.006875
C 3.871435 -2.182658 0.268666
C 4.901232 -1.214231 0.152140
C -3.254150 -1.219848 -0.584671
C -3.670506 0.851632 0.622999
C -4.623500 -1.495688 -0.574269
C -5.038187 0.567592 0.626352
C -5.516335 -0.602288 0.026207
H -1.333139 2.397893 -0.290107
H 1.373083 3.448072 -0.397804
H 3.739657 2.650979 -0.306791
H 1.737918 -2.525961 0.312126
H 5.384136 0.862859 -0.095743
H 4.140938 -3.230036 0.394286
H 5.939068 -1.541108 0.190558
H -2.549903 -1.919225 -1.041647
H -3.305110 1.751297 1.113602
H -4.994340 -2.411377 -1.033561
H -5.733356 1.257023 1.103265
H -6.583423 -0.819600 0.031415


%chk=000232849-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232849

0 1
N -0.793924 1.582914 0.070401
N -0.352473 -0.647193 -0.031538
C 0.852376 0.067611 -0.003776
C 0.600132 1.469740 0.057816
C 2.200277 -0.426680 -0.029158
C 3.261689 0.559364 0.011810
C -1.335185 0.286095 0.014652
C 1.637719 2.441971 0.099012
C 2.950553 1.969256 0.075045
C -2.773797 -0.003186 0.008271
C 2.522934 -1.815599 -0.091615
C 4.618699 0.101186 -0.011526
C 3.860282 -2.228837 -0.112816
C 4.914965 -1.264834 -0.072375
C -3.195797 -1.361359 -0.041293
C -3.760034 1.021034 0.050568
C -4.566532 -1.682612 -0.047271
C -5.132671 0.694481 0.044792
C -5.543026 -0.657744 -0.003741
H -1.321371 2.451983 0.110159
H 1.422941 3.514464 0.147721
H 3.783920 2.680772 0.105215
H 1.702740 -2.539764 -0.122070
H 5.427984 0.840726 0.019200
H 4.104476 -3.295777 -0.160869
H 5.957539 -1.601118 -0.089424
H -2.426633 -2.138903 -0.074228
H -3.473820 2.079923 0.086301
H -4.877476 -2.732400 -0.085701
H -5.881245 1.493747 0.077863
H -6.609144 -0.909360 -0.007929


