%chk=000211745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211745

0 1
N -0.063428 -0.376120 -0.152312
N 0.582618 1.749243 0.853338
N 4.475902 0.837280 -0.645328
C -4.277576 -0.051096 -0.019783
C -1.473842 -0.199645 -0.067719
C -3.523608 0.980144 -0.600357
C -3.615915 -1.163182 0.529093
C -2.130376 0.913979 -0.624572
C -2.225640 -1.244765 0.506327
C 2.264475 0.146277 0.070542
C 0.825964 0.476497 0.266814
C -5.770163 0.019174 -0.003304
C 2.747646 -1.136266 0.370437
C 3.160622 1.102560 -0.452897
C 4.101598 -1.415975 0.170825
C 4.934550 -0.404311 -0.333672
H -1.553756 1.708450 -1.095754
H -1.714930 -2.114062 0.917786
H -4.026583 1.839522 -1.040770
H -4.194051 -1.972681 0.971911
H -6.198608 -0.455490 0.889241
H -6.141309 1.051982 -0.026542
H -6.191540 -0.496490 -0.879467
H 2.065755 -1.904551 0.743510
H 2.821131 2.108161 -0.735649
H 4.502993 -2.402067 0.393867
H -0.352751 1.927870 1.197736
H 1.298331 2.131253 1.454610
H 6.004090 -0.576493 -0.504608


%chk=000211745-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211745

0 1
N -0.034608 -0.450587 -0.030725
N 0.527135 1.790979 0.660639
N 4.630249 0.903344 -0.149536
C -4.312447 -0.065089 0.033362
C -1.439087 -0.259119 0.009497
C -3.518969 0.887146 -0.655066
C -3.638769 -1.123966 0.699720
C -2.109718 0.803604 -0.667688
C -2.234756 -1.231481 0.679130
C 2.291862 0.178681 0.082886
C 0.839063 0.502240 0.231790
C -5.829306 0.015602 0.022201
C 2.704949 -1.178422 0.035030
C 3.297388 1.176098 -0.029980
C 4.074604 -1.477302 -0.094005
C 5.002189 -0.409779 -0.170946
H -1.528045 1.531469 -1.246594
H -1.726787 -2.063149 1.178414
H -4.010802 1.705829 -1.195651
H -4.226240 -1.881112 1.234228
H -6.261926 -0.347289 0.971814
H -6.179562 1.050806 -0.137188
H -6.257989 -0.604462 -0.789684
H 1.935978 -1.954207 0.094618
H 3.042661 2.242915 -0.064217
H 4.425493 -2.513305 -0.130764
H -0.450745 2.048616 0.791127
H 1.241903 2.401292 1.048629
H 6.077883 -0.600153 -0.257737


