%chk=000004622.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004622

0 1
 O   -3.912400     -0.5380000      0.4344000    
 O    5.314200       1.195000      1.7600000E-02
 O    4.515600     -0.9034000     -0.4055000    
 N   0.7262000       1.030800      0.3915000    
 N    1.553300     -0.9588000     -0.1536000    
 N    3.083900      0.8783000      0.1436000    
 C  -0.3588000      0.1983000      0.2912000    
 C   0.1835000      -1.037500     -5.0000001E-02
 C   -2.566000     -0.6894000      0.2776000    
 C   -1.726500      0.4137000      0.4642000    
 C  -0.6746000      -2.134800     -0.2333000    
 C    1.844500      0.2938000      0.1171000    
 C   -4.458500      0.7435000      0.1313000    
 C   -2.051500      -1.942000     -6.4800002E-02
 C   -5.893900      0.5673000     -0.3398000    
 C   -6.538200       1.894900     -0.6966000    
 C    4.313300      0.2681000     -0.1109000    
 C    6.645800      0.7204000     -0.2142000    
 H   -2.083300       1.394200      0.7563000    
 H   0.7036000       2.014200      0.6262000    
 H  -0.2846000      -3.112000     -0.4996000    
 H   -3.900100       1.240200     -0.6730000    
 H   -4.431800       1.366200       1.033000    
 H   -2.724400      -2.784900     -0.2045000    
 H   -5.917200     -0.1022000      -1.208100    
 H   -6.478600      6.7299999E-02  0.4416000    
 H   -5.993400       2.391100      -1.506000    
 H   -7.569600       1.738900      -1.027800    
 H   -6.557100       2.566500      0.1677000    
 H    3.108700       1.868200      0.3752000    
 H    6.899300     -6.2199999E-02  0.5071000    
 H    7.333500       1.559300     -7.8299999E-02
 H    6.742200      0.3497000      -1.239100    


%chk=000004622-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004622

0 1
O -3.945019 -0.552168 -0.189626
O 5.435811 1.210194 0.098753
O 4.707708 -1.034854 0.027835
N 0.816503 1.079037 -0.024137
N 1.654905 -1.055509 -0.072127
N 3.223233 0.835508 0.027836
C -0.307071 0.233201 -0.078965
C 0.238511 -1.091283 -0.108117
C -2.541368 -0.628477 -0.160013
C -1.690594 0.503457 -0.103862
C -0.637165 -2.199770 -0.165165
C 1.955495 0.242785 -0.022717
C -4.566681 0.781464 -0.160132
C -2.021143 -1.957650 -0.190589
C -6.082493 0.571396 -0.194188
C -6.848073 1.912130 -0.166404
C 4.458636 0.183288 0.047856
C 6.829227 0.722165 0.127915
H -2.081680 1.523909 -0.080996
H 0.798951 2.096736 0.009426
H -0.237486 -3.217423 -0.188443
H -4.228657 1.371965 -1.038946
H -4.261717 1.317166 0.764716
H -2.738452 -2.782293 -0.234172
H -6.341445 0.000689 -1.105331
H -6.373565 -0.054822 0.669545
H -6.585979 2.545174 -1.035191
H -7.938316 1.739546 -0.195088
H -6.623735 2.487031 0.751923
H 3.284736 1.854658 0.053114
H 6.998649 0.093755 1.018654
H 7.445796 1.631463 0.164973
H 7.049578 0.132233 -0.777839


