%chk=000074523.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074523

0 1
 O  -5.2999998E-03  3.8999999E-03   1.692200    
 N   0.9617000      0.6406000     -0.3215000    
 N  -0.9561000     -0.6396000     -0.3241000    
 C    3.294800      0.5061000      0.4536000    
 C   -3.293200     -0.5016000      0.4570000    
 C    2.065200       1.379400      0.2268000    
 C   -2.064100      -1.376900      0.2361000    
 C    3.823700     -0.1124000     -0.8425000    
 C   -3.824700      0.1049000     -0.8437000    
 C  -1.4000000E-03  7.9999998E-04  0.4619000    
 C    5.083300     -0.9279000     -0.5947000    
 C   -5.083900      0.9226000     -0.6011000    
 H    3.053200     -0.2937000       1.164600    
 H    4.080200       1.118100      0.9133000    
 H   -3.050300      0.3047000       1.160100    
 H   -4.077700      -1.109300      0.9239000    
 H    2.295400       2.190300     -0.4724000    
 H    1.756300       1.831700       1.175500    
 H   -2.294500      -2.192900     -0.4571000    
 H   -1.752700      -1.821700       1.187500    
 H    4.045100      0.6785000      -1.568500    
 H    3.065500     -0.7636000      -1.291700    
 H   -4.047500     -0.6927000      -1.561900    
 H   -3.067300      0.7519000      -1.300300    
 H   0.8815000      0.5767000      -1.331700    
 H  -0.8744000     -0.5831000      -1.334600    
 H    4.888700      -1.747000      0.1049000    
 H    5.445100      -1.360700      -1.532600    
 H    5.880300     -0.3028000     -0.1796000    
 H   -4.888000       1.748200      9.0499997E-02
 H   -5.447500       1.346700      -1.542300    
 H   -5.880100      0.3014000     -0.1787000    


%chk=000074523-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074523

0 1
O -0.000682 0.009076 1.815695
N 1.013490 0.597038 -0.213584
N -1.013670 -0.604367 -0.206578
C 3.435233 0.342289 0.477945
C -3.434428 -0.335943 0.482705
C 2.170890 1.233813 0.434064
C -2.172330 -1.231100 0.448561
C 4.008698 -0.003439 -0.915134
C -4.008920 -0.006075 -0.913749
C -0.000279 0.001063 0.543600
C 5.285366 -0.868764 -0.836740
C -5.281416 0.866123 -0.844397
H 3.194495 -0.588284 1.027974
H 4.210932 0.871828 1.069091
H -3.190412 0.600751 1.020820
H -4.210749 -0.855899 1.081495
H 2.397684 2.183322 -0.091279
H 1.853028 1.477536 1.462365
H -2.401400 -2.185971 -0.065912
H -1.854840 -1.463773 1.479530
H 4.230005 0.936053 -1.463743
H 3.240984 -0.543749 -1.506753
H -4.235675 -0.951691 -1.449474
H -3.239917 0.522746 -1.514044
H 1.018086 0.498909 -1.229124
H -1.017986 -0.518507 -1.223237
H 5.081874 -1.824827 -0.319252
H 5.679843 -1.104374 -1.842361
H 6.082226 -0.347089 -0.273998
H -5.072211 1.828518 -0.341112
H -5.677465 1.089194 -1.852259
H -6.079155 0.356191 -0.272215


