%chk=000029818.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029818

0 1
 O   -3.311500     -0.9776000     -0.9493000    
 N    3.302900     -0.7884000     -3.8699999E-02
 C    1.454000      0.1659000     -0.3462000    
 C    2.527800      0.1999000      0.7505000    
 C    2.032700      -1.218000     -0.6732000    
 C    1.613200       1.204700      -1.437800    
 C  -2.1400001E-02  0.2140000      0.1193000    
 C    3.817200      -1.838600      0.8292000    
 C    1.312500       2.604100     -0.9269000    
 C   -1.014100     -0.4109000     -0.6356000    
 C  -0.3574000      0.8819000       1.296800    
 C   -2.342700     -0.3679000     -0.2130000    
 C   -1.686000      0.9250000       1.719400    
 C   -2.678600      0.3002000      0.9645000    
 C   -4.648800     -0.8943000     -0.4591000    
 H    3.054800       1.147200      0.9021000    
 H    2.202500     -0.1553000       1.738100    
 H    1.519000      -2.057000     -0.1836000    
 H    2.123500      -1.457900      -1.738100    
 H   0.9699000      0.9839000      -2.299000    
 H    2.639600       1.201200      -1.827600    
 H    4.639600      -1.448600       1.438600    
 H    4.222900      -2.656100      0.2235000    
 H    3.067700      -2.263500       1.508000    
 H   0.2461000       2.755700     -0.7357000    
 H    1.864800       2.847300     -1.4800000E-02
 H    1.598300       3.338400      -1.688300    
 H  -0.7600000     -0.9322000      -1.555100    
 H   0.3943000       1.388000       1.895500    
 H   -1.947100       1.448200       2.634800    
 H   -3.689700      0.3734000       1.350300    
 H   -5.004000      0.1414000     -0.4330000    
 H   -4.754100      -1.393900      0.5099000    
 H   -5.286800      -1.433100      -1.167400    


%chk=000029818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029818

0 1
O -3.309669 -1.054609 -0.930360
N 3.239597 -0.877176 0.023186
C 1.398180 0.205870 -0.286835
C 2.540081 0.207555 0.798806
C 1.962337 -1.207338 -0.703464
C 1.653125 1.252632 -1.413238
C -0.040800 0.248251 0.204562
C 3.917242 -1.944286 0.768872
C 1.434134 2.721175 -0.994168
C -1.052342 -0.409792 -0.530170
C -0.406251 0.973896 1.371229
C -2.404196 -0.352405 -0.114126
C -1.754082 1.030283 1.780843
C -2.768589 0.370443 1.048711
C -4.722371 -1.032981 -0.545223
H 3.131973 1.131979 0.926496
H 2.168531 -0.137487 1.791391
H 1.389106 -2.037593 -0.231222
H 2.087630 -1.406902 -1.783658
H 0.987135 1.011561 -2.266501
H 2.694577 1.112451 -1.762727
H 4.779219 -1.523927 1.318459
H 4.303659 -2.703340 0.064481
H 3.252308 -2.461014 1.507095
H 0.390092 2.901674 -0.682291
H 2.093390 3.002988 -0.151557
H 1.660950 3.401694 -1.835204
H -0.814027 -0.982751 -1.433181
H 0.362848 1.492546 1.953799
H -2.025890 1.592676 2.681545
H -3.807670 0.424228 1.386443
H -5.125696 -0.001412 -0.546612
H -4.875796 -1.488851 0.452525
H -5.237635 -1.632941 -1.309807


