%chk=000129997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129997

0 1
 O   -3.578300     -0.7268000     -0.4780000    
 O    2.021900      -2.376200      0.7653000    
 O    1.240500       2.847300     -0.4184000    
 O   -5.695900     -0.2278000      0.2989000    
 N  -0.9664000      0.9087000      0.2454000    
 N    4.218700     -0.8769000      0.2138000    
 N  -0.6440000      -1.230900      0.7312000    
 C   -3.002400     -0.1590000      0.6877000    
 C    4.427900      -1.999100     -0.6950000    
 C    5.104500     -0.6904000     -0.9305000    
 C   -1.922600       1.980500      7.5000003E-02
 C   -1.537100     -0.2839000      0.5816000    
 C   -3.194800       1.381100      0.7159000    
 C   0.3656000      0.7503000      0.1666000    
 C    2.999000     -0.2538000      0.1730000    
 C   0.5500000     -0.5830000      0.4699000    
 C    2.802500       1.056600     -0.1249000    
 C    1.851000      -1.192700      0.4995000    
 C    1.415300       1.664000     -0.1473000    
 C    3.898900       2.033600     -0.4588000    
 C   -4.945100     -0.6958000     -0.5464000    
 C   -5.409100      -1.325700      -1.824600    
 H   -3.392100     -0.6439000       1.589100    
 H    4.998000      -2.802500     -0.2526000    
 H    3.615700      -2.268300      -1.355600    
 H    4.756300     -0.1217000      -1.780300    
 H    6.143500     -0.5920000     -0.6535000    
 H   -2.041500       2.153800     -0.9982000    
 H   -1.569800       2.877400      0.5891000    
 H   -3.240200       1.712500       1.761900    
 H   -4.091400       1.747800      0.2094000    
 H    4.880100       1.720300     -9.2399999E-02
 H    3.712200       3.002600      1.8300001E-02
 H    3.953600       2.193000      -1.540200    
 H   -5.087100      -2.369400      -1.861200    
 H   -5.011000     -0.7694000      -2.676800    
 H   -6.501600      -1.296000      -1.868300    


%chk=000129997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129997

0 1
O -3.730840 -0.496488 -0.610415
O 2.042633 -2.471154 0.425879
O 1.201736 2.979424 -0.274476
O -5.760032 -0.716902 0.523574
N -1.010926 1.011646 0.262007
N 4.216732 -0.819528 -0.047454
N -0.751236 -1.236295 0.586915
C -3.103434 -0.021232 0.673416
C 4.705468 -2.115915 -0.548481
C 5.323375 -0.794959 -1.035601
C -1.947137 2.151467 0.197131
C -1.626802 -0.212916 0.538263
C -3.239102 1.527355 0.821675
C 0.337702 0.773683 0.119089
C 2.954906 -0.252950 -0.045961
C 0.483650 -0.620440 0.324551
C 2.774507 1.126710 -0.209292
C 1.813126 -1.236581 0.259124
C 1.432925 1.722882 -0.136169
C 3.945924 2.064409 -0.401400
C -5.090152 -0.848493 -0.524713
C -5.570881 -1.412732 -1.841889
H -3.573523 -0.572112 1.502533
H 5.246175 -2.729329 0.178800
H 4.059797 -2.676047 -1.232271
H 5.084096 -0.472347 -2.056310
H 6.301296 -0.478944 -0.658684
H -2.084680 2.462055 -0.852852
H -1.553251 3.009764 0.762426
H -3.296331 1.777528 1.895357
H -4.158213 1.893311 0.339366
H 4.703461 1.914953 0.390855
H 3.588038 3.105740 -0.366386
H 4.455121 1.915433 -1.372437
H -5.260270 -2.470698 -1.918719
H -5.120372 -0.872443 -2.689457
H -6.668685 -1.363552 -1.889395


