%chk=000116118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116118

0 1
N -0.208955 1.914910 -0.110707
C 0.161449 -0.439445 -0.050042
C 1.466633 0.201770 -0.017068
C -0.812737 0.758505 -0.108685
C -2.160575 0.177678 -0.144473
C -1.985606 -1.257931 -0.108514
C 1.216161 1.601360 -0.054184
C -0.532987 -1.589876 -0.050935
C 2.788386 -0.287893 0.039358
C -3.408387 0.747080 -0.200809
C 3.846971 0.671210 0.057230
C -4.542014 -0.115438 -0.224191
C -3.086836 -2.083422 -0.129016
C 2.261959 2.541033 -0.036383
C -4.374339 -1.495428 -0.186611
C 3.559167 2.066997 0.018864
C 3.104285 -1.686627 0.078744
C -5.918415 0.491116 -0.280152
C 5.201215 0.196626 0.114492
C 4.407790 -2.100637 0.132993
C 5.471624 -1.144942 0.151128
C -6.387405 0.916011 1.110857
H -0.175772 -2.604185 -0.017675
H -3.535686 1.829098 -0.224983
H -2.988014 -3.166380 -0.101787
H 2.035033 3.606347 -0.065957
H -5.244505 -2.151123 -0.198961
H 4.392641 2.770238 0.033954
H 2.283072 -2.400948 0.064254
H -5.923192 1.365932 -0.964065
H -6.644422 -0.223855 -0.719188
H 6.006634 0.930156 0.128002
H 4.659992 -3.159639 0.163257
H 6.496737 -1.509576 0.194573
H -6.427507 0.062869 1.798959
H -7.388283 1.360363 1.073340
H -5.711813 1.658049 1.554382


%chk=000116118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116118

0 1
N -0.221083 1.874065 -0.091100
C 0.161860 -0.465490 -0.048977
C 1.480677 0.168993 -0.008991
C -0.798606 0.676409 -0.098186
C -2.167207 0.125545 -0.141568
C -2.009858 -1.309487 -0.118356
C 1.207233 1.573394 -0.035485
C -0.557375 -1.644550 -0.060058
C 2.823859 -0.306254 0.042918
C -3.432520 0.709841 -0.202011
C 3.889580 0.688714 0.067333
C -4.597391 -0.127505 -0.241200
C -3.141248 -2.134895 -0.157332
C 2.240885 2.536911 -0.010692
C -4.432741 -1.530885 -0.219756
C 3.570097 2.086955 0.040379
C 3.174896 -1.697458 0.070770
C -5.981697 0.501371 -0.269457
C 5.252240 0.240029 0.117839
C 4.511415 -2.096884 0.119520
C 5.560891 -1.120550 0.143168
C -6.421043 1.029481 1.123890
H -0.176087 -2.668962 -0.033238
H -3.539052 1.800558 -0.225057
H -3.046174 -3.226523 -0.144765
H 1.993407 3.602068 -0.032055
H -5.322895 -2.170317 -0.254345
H 4.392644 2.811350 0.059997
H 2.377339 -2.448116 0.052998
H -5.995833 1.343026 -0.989379
H -6.723141 -0.237485 -0.627138
H 6.053013 0.989041 0.135950
H 4.765729 -3.162406 0.140092
H 6.605016 -1.449570 0.181319
H -6.457545 0.208416 1.862234
H -7.423570 1.491596 1.069285
H -5.713416 1.789580 1.501455


