%chk=000126931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126931

0 1
 O  -0.8336000      -3.038100      -1.823900    
 N   -4.169000     -0.3451000       1.593900    
 N  -0.5712000       1.996900     -0.4424000    
 N   0.7566000       3.825700      0.3379000    
 N    5.027700     -0.9063000     -0.1703000    
 N    4.893000      -1.900900      0.5755000    
 N    4.776500      -2.811000       1.254300    
 C   -3.303500      0.8996000     -2.7500000E-02
 C   -2.813800     -0.4282000     -0.1762000    
 C   -2.984600       2.056200     -0.8882000    
 C   -3.372200      -1.188800      0.8533000    
 C   -4.134000      0.9190000       1.069300    
 C   -1.755800       2.859300     -0.4330000    
 C   -1.946400      -1.057900      -1.090900    
 C   -3.105500      -2.553100       1.014400    
 C   -1.670600      -2.422000     -0.9421000    
 C   -2.242400      -3.156100      9.5100001E-02
 C   0.5487000       2.524100     -7.0900001E-02
 C    1.739900       1.612300     -9.7599998E-02
 C    1.763700      0.5989000      -1.022500    
 C    2.750200       1.834100      0.8045000    
 C    2.870900     -0.2492000      -1.047000    
 C    3.857600      0.9861000      0.7800000    
 C    3.918000     -5.5399999E-02 -0.1458000    
 H   -2.826900       1.715100      -1.919400    
 H   -3.847300       2.733800     -0.9248000    
 H   -4.702900       1.717500       1.525100    
 H   -4.702200     -0.6199000       2.407300    
 H   -1.619000       3.703300      -1.119400    
 H   -1.935600       3.249900      0.5765000    
 H   -1.502100     -0.4911000      -1.904300    
 H   -3.550100      -3.125400       1.821600    
 H   -2.018500      -4.215400      0.1974000    
 H   0.9673000      0.4385000      -1.741800    
 H    2.719200       2.620500       1.551100    
 H  -0.5218000      -2.384000      -2.472600    
 H    2.909800      -1.055900      -1.774500    
 H    4.666200       1.142400       1.489400    
 H  -3.8999999E-03   4.494500      0.3877000    
 H    1.679200       4.194500      0.5415000    


%chk=000126931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126931

0 1
O -0.383238 -2.949441 0.526896
N -5.302380 -0.301337 0.449981
N -0.418689 1.895640 -0.443045
N 0.740802 3.440445 0.997390
N 5.528846 -0.708893 -0.538985
N 5.752260 -1.466131 -1.528962
N 6.154043 -2.212212 -2.360124
C -3.568155 0.910692 -0.436719
C -3.059874 -0.380587 0.003297
C -2.823137 2.037403 -1.116286
C -4.167057 -1.118806 0.551895
C -4.935169 0.913969 -0.144637
C -1.668434 2.676503 -0.298386
C -1.770184 -0.977414 -0.018260
C -4.016498 -2.426760 1.065466
C -1.629734 -2.278242 0.498112
C -2.733914 -3.004255 1.033130
C 0.668295 2.313976 0.172703
C 1.932493 1.533597 -0.005051
C 2.072828 0.704250 -1.150135
C 2.995355 1.574360 0.936651
C 3.238211 -0.051359 -1.363109
C 4.169087 0.822914 0.737603
C 4.297622 0.011853 -0.415643
H -2.381673 1.690800 -2.071694
H -3.553100 2.831525 -1.368446
H -5.672537 1.694533 -0.327959
H -6.240301 -0.553127 0.751389
H -1.509973 3.718772 -0.667106
H -1.985139 2.752682 0.767637
H -0.920118 -0.400012 -0.403273
H -4.863375 -2.985000 1.479846
H -2.555935 -4.012598 1.418397
H 1.243318 0.676594 -1.863818
H 2.900239 2.160298 1.857726
H 0.325112 -2.356997 0.170904
H 3.332142 -0.677375 -2.258230
H 4.986090 0.843834 1.464657
H -0.099130 3.970207 1.215002
H 1.632600 3.804098 1.321886


