%chk=000029329.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029329

0 1
 O    1.691900     -0.1615000     -0.4009000    
 N    5.325000     -0.3987000      0.1428000    
 C  -0.6073000     -1.5799999E-02  -1.033600    
 C   -3.127800      0.1903000     -0.2410000    
 C   -1.580200      8.3899997E-02  -2.258600    
 C   -3.060300      0.2050000      -1.786700    
 C  -0.8938000       1.241800     -0.1899000    
 C   -1.106100      -1.227800     -0.2225000    
 C   -2.249300       1.341900      0.2276000    
 C   -2.459700      -1.106200      0.1953000    
 C   0.8375000     -0.1335000      -1.527400    
 C   1.4900000E-02   2.225500      0.1859000    
 C  -0.3791000      -2.361500      0.1258000    
 C   -2.685000       2.408800       1.003700    
 C   -3.072600      -2.103300      0.9441000    
 C  -0.4266000       3.298800      0.9652000    
 C  -0.9988000      -3.363800      0.8778000    
 C   -1.764500       3.390000       1.370100    
 C   -2.333800      -3.236200       1.283000    
 C    3.060600     -0.2703000     -0.7778000    
 C    3.915000     -0.2713000      0.4798000    
 C    6.145700     -0.4420000       1.355600    
 C    5.754100      0.7059000     -0.7183000    
 H   -4.155800      0.2738000      0.1249000    
 H   -1.481200     -0.8001000      -2.902600    
 H   -1.330900      0.9546000      -2.879700    
 H   -3.493600       1.132300      -2.182600    
 H   -3.644700     -0.6240000      -2.205900    
 H    1.095700      0.7247000      -2.161100    
 H   0.9742000      -1.044800      -2.123400    
 H    1.054300       2.204300     -0.1202000    
 H   0.6528000      -2.500400     -0.1762000    
 H   -3.719300       2.483100       1.323000    
 H   -4.105300      -2.008500       1.263600    
 H   0.2758000       4.074800       1.258200    
 H  -0.4390000      -4.254500       1.150900    
 H   -2.086400       4.232900       1.975700    
 H   -2.795900      -4.027100       1.867600    
 H    3.209500      -1.197400      -1.344600    
 H    3.286100      0.5841000      -1.423100    
 H    3.712600      0.6370000       1.063500    
 H    3.597500      -1.111500       1.111100    
 H    5.848500      -1.283900       1.990900    
 H    6.063700      0.4799000       1.942800    
 H    7.200200     -0.5989000       1.102600    
 H    5.479500       1.685900     -0.3113000    
 H    5.357300      0.6101000      -1.733600    
 H    6.844100      0.6917000     -0.8412000    


%chk=000029329-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029329

0 1
O 1.729015 -0.096659 -0.392247
N 5.430231 -0.373935 0.095968
C -0.664906 0.012981 -0.983829
C -3.192256 0.152156 -0.217394
C -1.635925 0.057968 -2.242536
C -3.128902 0.138408 -1.790577
C -0.996423 1.276860 -0.171356
C -1.128487 -1.198694 -0.157531
C -2.359252 1.346624 0.231540
C -2.490251 -1.118385 0.246552
C 0.773975 -0.066733 -1.504303
C -0.111836 2.322196 0.162171
C -0.359312 -2.327975 0.187939
C -2.835054 2.457390 0.954084
C -3.080059 -2.163428 0.983032
C -0.590670 3.439995 0.889074
C -0.952747 -3.379702 0.928778
C -1.946484 3.510166 1.284019
C -2.307561 -3.300410 1.325440
C 3.119611 -0.190655 -0.857019
C 3.999402 -0.137093 0.399967
C 6.196030 -0.748301 1.303284
C 6.066182 0.749692 -0.623819
H -4.236249 0.209471 0.135620
H -1.460957 -0.848870 -2.850926
H -1.368166 0.935385 -2.860267
H -3.606709 1.054927 -2.180463
H -3.699599 -0.728561 -2.168638
H 0.984472 0.814472 -2.152850
H 0.895150 -0.982175 -2.127164
H 0.945267 2.252362 -0.109759
H 0.698326 -2.376550 -0.086582
H -3.886583 2.503560 1.262044
H -4.130046 -2.094222 1.291900
H 0.097474 4.250040 1.157080
H -0.354290 -4.255409 1.205392
H -2.308060 4.375080 1.851861
H -2.757857 -4.115385 1.903627
H 3.291592 -1.146893 -1.396449
H 3.337780 0.648841 -1.553963
H 3.827529 0.837997 0.922619
H 3.650366 -0.933993 1.081584
H 5.745245 -1.642741 1.768310
H 6.233857 0.061901 2.075511
H 7.234865 -0.996875 1.020598
H 6.056904 1.706254 -0.039836
H 5.557020 0.931932 -1.585663
H 7.117846 0.495087 -0.845521


