%chk=000040662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040662

1 1
 O    3.087600       1.177500      7.2099999E-02
 N   -1.439400      5.9900001E-02  8.6000003E-03
 N    2.185300     -0.9112000     -0.4247000    
 C  -6.9700003E-02 -0.4539000      0.4281000    
 C   -2.020700     -0.8573000      -1.057800    
 C   -2.364300      8.2900003E-02   1.217000    
 C   -1.303200       1.467900     -0.5528000    
 C   0.8587000     -0.4799000     -0.7719000    
 C   -3.382000     -0.3416000      -1.470500    
 C   -2.495900      -1.319200       1.770500    
 C  -0.7251000       2.374800      0.5114000    
 C    3.193400     -4.1900001E-02 -2.9899999E-02
 C    4.475500     -0.7582000      0.2998000    
 H   0.3149000      0.1237000       1.273500    
 H  -0.1728000      -1.489800      0.7664000    
 H   -1.385600     -0.8061000      -1.946900    
 H   -2.031200      -1.894300     -0.7137000    
 H   -1.900300      0.6848000       2.003300    
 H   -3.321800      0.5444000      0.9635000    
 H  -0.7358000       1.464900      -1.486000    
 H   -2.302500       1.853100     -0.7751000    
 H   0.5362000      -1.195300      -1.532000    
 H   0.9770000      0.4954000      -1.246500    
 H   -3.778500      -1.023900      -2.233900    
 H   -4.127500     -0.3478000     -0.6729000    
 H   -3.366600      0.6375000      -1.954000    
 H   -3.175500      -1.273700       2.631600    
 H   -2.956700      -2.033900       1.086000    
 H   -1.569100      -1.735500       2.170700    
 H  -0.6296000       3.378600      7.7100001E-02
 H   -1.365200       2.510100       1.385800    
 H   0.2843000       2.108700      0.8308000    
 H    2.380400      -1.907900     -0.4553000    
 H    5.294600     -3.6499999E-02  0.3619000    
 H    4.369800      -1.268100       1.261300    
 H    4.713600      -1.490400     -0.4770000    


%chk=000040662-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040662

1 1
O 2.581115 1.018410 0.542726
N -1.430214 0.035503 -0.038449
N 2.264887 -1.003457 -0.522370
C -0.045547 -0.601038 0.215705
C -2.151925 -0.769444 -1.150883
C -2.235413 0.006991 1.290749
C -1.296715 1.522458 -0.493222
C 0.933693 -0.589914 -0.988468
C -3.599856 -0.356289 -1.440815
C -2.598732 -1.384113 1.823428
C -0.439081 2.416937 0.409840
C 3.051894 -0.113700 0.207390
C 4.453806 -0.571830 0.556956
H 0.417553 -0.037795 1.040221
H -0.224886 -1.638326 0.541250
H -1.536046 -0.647009 -2.057546
H -2.101948 -1.828148 -0.845279
H -1.616816 0.549562 2.023686
H -3.143870 0.604060 1.107164
H -0.887415 1.494347 -1.517234
H -2.329765 1.903059 -0.554348
H 0.614769 -1.280578 -1.786618
H 1.017633 0.429119 -1.407420
H -3.979996 -1.012425 -2.243854
H -4.270492 -0.488609 -0.575792
H -3.689187 0.679149 -1.807827
H -3.173406 -1.240799 2.755638
H -3.242220 -1.958565 1.136822
H -1.718479 -1.992848 2.086489
H -0.429883 3.423849 -0.045637
H -0.860446 2.536391 1.422316
H 0.610800 2.084399 0.483270
H 2.646600 -1.902370 -0.819170
H 5.182738 0.120429 0.100892
H 4.598516 -0.512744 1.649007
H 4.680634 -1.596864 0.219885


