%chk=000290518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290518

0 1
N -2.213295 -2.118365 -0.000235
C -0.261076 -0.016083 -0.000071
C -1.666290 0.298533 -0.000150
C 0.690708 1.016126 -0.000034
C 0.145162 -1.401380 0.000043
C 2.092933 0.682639 -0.000071
C -2.103225 1.644186 -0.000152
C 2.478443 -0.683368 0.000203
C -2.628659 -0.761192 -0.000257
C 1.483242 -1.712218 0.000278
C -0.937741 -2.415624 -0.000101
C 0.224088 2.383503 0.000057
C -1.103218 2.686461 0.000032
C -3.492226 1.916866 -0.000322
C 3.115567 1.682319 -0.000400
C -3.991743 -0.466405 -0.000445
C 3.868920 -1.021419 0.000370
C -4.410730 0.877146 -0.000486
C -0.567676 -3.865842 -0.000068
C 4.443794 1.332423 -0.000370
C 4.827369 -0.038298 0.000075
H 1.820495 -2.749579 0.000493
H 0.974897 3.176498 0.000219
H -1.444314 3.721326 0.000188
H -3.833074 2.950466 -0.000347
H 2.820028 2.732687 -0.000682
H -4.722721 -1.275313 -0.000541
H 4.151168 -2.073638 0.000722
H -5.479331 1.095366 -0.000632
H -1.462716 -4.512697 0.000285
H 0.016537 -4.130505 -0.892099
H 0.017198 -4.130394 0.891560
H 5.221134 2.095752 -0.000688
H 5.887052 -0.289077 0.000226


%chk=000290518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290518

0 1
N -2.232873 -2.127006 -0.000105
C -0.275032 -0.000767 -0.000109
C -1.676816 0.302826 -0.000186
C 0.698130 1.051071 -0.000109
C 0.124152 -1.396748 -0.000034
C 2.110446 0.709164 -0.000046
C -2.132724 1.666702 -0.000262
C 2.492852 -0.690343 0.000019
C -2.630082 -0.775142 -0.000192
C 1.490950 -1.710426 0.000026
C -0.932168 -2.422556 -0.000026
C 0.217500 2.412113 -0.000175
C -1.138802 2.709900 -0.000249
C -3.534218 1.929005 -0.000346
C 3.153756 1.691263 -0.000045
C -4.012800 -0.479041 -0.000278
C 3.884941 -1.041393 0.000081
C -4.457836 0.866371 -0.000354
C -0.564497 -3.892043 0.000043
C 4.502158 1.321129 0.000018
C 4.874978 -0.058959 0.000082
H 1.817308 -2.756060 0.000079
H 0.935498 3.237064 -0.000163
H -1.472268 3.754338 -0.000301
H -3.885419 2.967479 -0.000403
H 2.901776 2.755871 -0.000100
H -4.718418 -1.315337 -0.000282
H 4.157930 -2.103354 0.000127
H -5.532542 1.078341 -0.000420
H -1.488468 -4.488872 0.000230
H 0.034311 -4.159466 -0.891430
H 0.034606 -4.159328 0.891355
H 5.280161 2.092500 0.000020
H 5.934210 -0.337398 0.000133


