%chk=000011682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011682

2 1
 O   0.1232000      -2.395500     -0.4058000    
 N    1.404600      2.8300000E-02 -0.2443000    
 N   -2.337600      0.9251000      4.6999998E-02
 C   1.9400001E-02 -0.1217000      0.3949000    
 C  -0.8068000       1.057800     -0.1329000    
 C   -2.812200     -0.4274000     -0.5506000    
 C    2.297900      -1.137500      0.2261000    
 C    1.972800       1.386900      0.1726000    
 C  -0.5755000      -1.448600     -4.2900000E-02
 C   -2.069400      -1.600100      9.0700001E-02
 C   0.2596000     -0.1220000       1.904600    
 C    1.214800     -2.7899999E-02  -1.762700    
 C    3.692500     -0.6815000      0.6451000    
 C    3.380700       1.602500     -0.3730000    
 C    4.269100      0.3648000     -0.2919000    
 C   -2.952700       2.091700     -0.7590000    
 C   -2.756600       1.131100       1.501000    
 C   -4.323700     -0.6258000     -0.4189000    
 H  -0.5556000       1.995700      0.3747000    
 H  -0.7071000       1.219500      -1.205800    
 H   -2.551100     -0.3829000      -1.616400    
 H    2.418900      -1.816600     -0.6278000    
 H    1.854100      -1.730900       1.030000    
 H    1.999700       1.458200       1.263400    
 H    1.351500       2.195400     -0.2206000    
 H   -2.357600      -2.529800     -0.4154000    
 H   -2.317300      -1.724000       1.149300    
 H  -0.3987000     -0.8420000       2.405800    
 H    1.261400     -0.3412000       2.279000    
 H   1.0400000E-02  0.8566000       2.334200    
 H    2.165800     -0.3365000      -2.210000    
 H   0.4438000     -0.7320000      -2.076900    
 H    1.006400      0.9739000      -2.151200    
 H    4.359400      -1.551100      0.6808000    
 H    3.660700     -0.2804000       1.665700    
 H    3.846900       2.425000      0.1836000    
 H    3.336300       1.940600      -1.415700    
 H    5.274600      0.6522000      3.6300000E-02
 H    4.386800     -6.8499997E-02  -1.292600    
 H   -2.488200       3.024100     -0.4227000    
 H   -2.756700       1.925500      -1.822400    
 H   -4.027900       2.129900     -0.5679000    
 H   -3.844400       1.231300       1.547300    
 H   -2.437100      0.2776000       2.098000    
 H   -2.290100       2.050000       1.868800    
 H   -4.891100      0.1665000     -0.9137000    
 H   -4.618300      -1.567100     -0.8973000    
 H   -4.643900     -0.6847000      0.6258000    


%chk=000011682-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011682

2 1
O -0.001928 -2.366240 -0.735642
N 1.462952 0.044569 -0.339152
N -2.429290 0.938383 0.061907
C 0.013176 -0.120082 0.322132
C -0.901998 1.054781 -0.188619
C -2.956723 -0.454330 -0.471523
C 2.419791 -1.163028 0.110904
C 2.104017 1.395585 0.115466
C -0.638501 -1.471460 -0.140015
C -2.127932 -1.601513 0.151767
C 0.162109 -0.111469 1.873926
C 1.418999 0.044082 -1.875555
C 3.733741 -0.685222 0.741843
C 3.544930 1.590800 -0.398273
C 4.453039 0.347715 -0.150146
C -3.069414 2.072228 -0.764533
C -2.803929 1.182330 1.527734
C -4.461039 -0.656941 -0.246597
H -0.599809 2.006653 0.277877
H -0.811552 1.150854 -1.282522
H -2.750380 -0.402805 -1.558976
H 2.604708 -1.736474 -0.809056
H 1.849925 -1.815328 0.784592
H 2.085646 1.397067 1.215140
H 1.459124 2.208618 -0.257963
H -2.465841 -2.550402 -0.299078
H -2.327400 -1.686940 1.236444
H -0.622785 -0.714727 2.356499
H 1.114788 -0.555136 2.200328
H 0.104493 0.909027 2.286546
H 2.455152 0.016243 -2.238980
H 0.896010 -0.851860 -2.233241
H 0.951051 0.966406 -2.252116
H 4.361463 -1.587387 0.865612
H 3.574691 -0.285647 1.761423
H 3.934312 2.467330 0.151876
H 3.549300 1.884428 -1.462098
H 5.400062 0.655054 0.321492
H 4.729803 -0.127398 -1.109756
H -2.611329 3.030052 -0.472543
H -2.905591 1.882717 -1.836561
H -4.146702 2.109682 -0.555149
H -3.894419 1.294699 1.600122
H -2.483845 0.345741 2.159290
H -2.323447 2.113900 1.864630
H -5.082313 0.133137 -0.698236
H -4.753282 -1.598420 -0.744423
H -4.722131 -0.764771 0.819504


