%chk=000055385.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055385

0 1
 O    1.886700       1.871600      0.9054000    
 N    3.577700     -0.2576000      0.4728000    
 C   -4.216600      0.3589000     -0.4938000    
 C   -4.544800     -0.8737000      -1.355000    
 C   -5.139300      0.2640000      0.7392000    
 C   -5.911700      -1.331500     -0.8691000    
 C   -5.843200      -1.083600      0.6273000    
 C   -2.743200      0.4624000     -0.1683000    
 C    3.629800      0.2137000     -0.9183000    
 C    4.405300      -1.457900      0.6583000    
 C    5.063900      0.5424000      -1.336500    
 C    5.864600      -1.184000      0.2916000    
 C    5.988500     -0.6521000      -1.131800    
 C    2.195700     -0.5223000      0.8720000    
 C   -2.112500     -0.5569000      0.5449000    
 C   -2.015600       1.578800     -0.5803000    
 C  -6.4199999E-02  0.6538000      0.4255000    
 C    1.390000      0.7581000      0.7491000    
 C  -0.7540000     -0.4598000      0.8461000    
 C  -0.6571000       1.675800     -0.2792000    
 H   -4.516700       1.254000      -1.056300    
 H   -3.822100      -1.687400      -1.224100    
 H   -4.557700     -0.6277000      -2.422300    
 H   -5.887100       1.065800      0.6895000    
 H   -4.619500      0.3697000       1.697100    
 H   -6.108500      -2.380000      -1.109700    
 H   -6.700900     -0.7199000      -1.321900    
 H   -6.832300      -1.073700       1.094000    
 H   -5.244900      -1.863100       1.113300    
 H    3.046700       1.125500      -1.078900    
 H    3.220700     -0.5465000      -1.597700    
 H    4.025100      -2.292400      5.4499999E-02
 H    4.370800      -1.773600       1.708200    
 H    5.431400       1.394900     -0.7512000    
 H    5.082600      0.8454000      -2.389500    
 H    6.451200      -2.103900      0.3947000    
 H    6.288700     -0.4539000      0.9927000    
 H    5.725800      -1.444800      -1.842900    
 H    7.025500     -0.3651000      -1.337400    
 H    1.763700      -1.310300      0.2443000    
 H    2.152300     -0.8344000       1.921900    
 H   -2.663600      -1.429600      0.8842000    
 H   -2.492200       2.380900      -1.137600    
 H  -0.2917000      -1.256500       1.419600    
 H  -0.1012000       2.547500     -0.6106000    


%chk=000055385-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055385

0 1
O 1.905013 1.905315 -0.514877
N 3.699019 -0.227951 0.072640
C -4.482694 0.310559 -0.126634
C -5.068264 -0.668707 -1.193692
C -5.096270 -0.194457 1.234080
C -6.486522 -0.974103 -0.661813
C -6.260132 -1.170639 0.861809
C -2.965334 0.417186 -0.144533
C 4.265235 0.092842 -1.263809
C 4.432144 -1.340419 0.727661
C 5.753175 0.479441 -1.150905
C 5.923085 -0.988793 0.904564
C 6.566613 -0.635731 -0.455929
C 2.252640 -0.460446 0.053671
C -2.146714 -0.711887 0.133873
C -2.320282 1.644466 -0.451059
C -0.102761 0.612806 -0.204057
C 1.391500 0.782668 -0.241853
C -0.742666 -0.620427 0.104282
C -0.916683 1.743444 -0.481295
H -4.899151 1.315140 -0.338678
H -4.465321 -1.597473 -1.223955
H -5.056963 -0.232788 -2.208567
H -5.458607 0.664308 1.826859
H -4.330021 -0.700843 1.847419
H -6.950271 -1.852983 -1.144544
H -7.149876 -0.105435 -0.841629
H -7.173869 -0.981335 1.452647
H -5.955508 -2.216211 1.058209
H 3.691109 0.931757 -1.687639
H 4.163113 -0.788530 -1.954776
H 4.351351 -2.289759 0.130444
H 3.970599 -1.531543 1.715571
H 5.827112 1.415383 -0.565208
H 6.154354 0.683407 -2.162414
H 6.447714 -1.840720 1.379168
H 6.001580 -0.120268 1.586454
H 6.581193 -1.538914 -1.101636
H 7.618543 -0.321853 -0.316477
H 1.948340 -1.254698 -0.684272
H 1.945988 -0.841702 1.048609
H -2.616966 -1.672703 0.376721
H -2.931730 2.529209 -0.667163
H -0.149759 -1.515192 0.321541
H -0.416954 2.689581 -0.715010


