%chk=000163672.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163672

0 1
 O    3.966700     -0.3689000      0.1074000    
 O    3.024300       1.700500     -0.2504000    
 N  -0.5034000     -0.7096000      3.1700000E-02
 N   0.1034000      -1.898200      0.2385000    
 N  -0.2485000       2.804500     -0.5205000    
 C   -1.883300     -0.6356000     -2.0099999E-02
 C   0.3848000      0.3264000     -0.1075000    
 C    1.638500     -0.2212000      1.5900001E-02
 C   -2.535500      0.5281000      0.3876000    
 C   -3.927500      0.6022000      0.3353000    
 C   -2.623100      -1.725100     -0.4801000    
 C    1.403800      -1.593100      0.2277000    
 C   -4.667100     -0.4874000     -0.1249000    
 C   -4.015000      -1.650900     -0.5325000    
 C    2.890200      0.4722000     -5.8600001E-02
 C   -4.625500       1.845900      0.7713000    
 C    5.276000      0.2075000      5.4400001E-02
 C   3.7000000E-02   1.687300     -0.3344000    
 C    6.304300     -0.8844000      0.2590000    
 H   -2.020800       1.361500      0.8507000    
 H   -2.144900      -2.642200     -0.8151000    
 H    2.120000      -2.389200      0.3752000    
 H   -5.752100     -0.4434000     -0.1694000    
 H   -4.591100      -2.498300     -0.8927000    
 H   -4.061200       2.735600      0.4718000    
 H   -5.618400       1.928000      0.3164000    
 H   -4.741000       1.850100       1.859800    
 H    5.424500      0.6809000     -0.9223000    
 H    5.372000      0.9622000      0.8425000    
 H    7.318800     -0.4778000      0.2243000    
 H    6.154100      -1.379000       1.224300    
 H    6.205700      -1.655800     -0.5118000    


%chk=000163672-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163672

0 1
O 4.048797 -0.413096 0.106623
O 3.165827 1.736063 -0.181005
N -0.512727 -0.618884 0.044313
N 0.112227 -1.856997 0.216906
N -0.174264 2.917604 -0.550704
C -1.952424 -0.575829 -0.012154
C 0.423815 0.413494 -0.078963
C 1.701897 -0.191640 0.034702
C -2.659612 0.574285 0.402823
C -4.074895 0.607060 0.331223
C -2.636856 -1.726019 -0.473433
C 1.443708 -1.582612 0.211974
C -4.757986 -0.539874 -0.143918
C -4.043035 -1.696345 -0.534065
C 2.998482 0.501209 -0.028390
C -4.829232 1.846846 0.777492
C 5.424528 0.172871 0.059642
C 0.099869 1.773747 -0.331948
C 6.402084 -0.983409 0.237761
H -2.128896 1.446935 0.794909
H -2.067320 -2.610225 -0.768165
H 2.170075 -2.381292 0.338424
H -5.852250 -0.528778 -0.203772
H -4.584643 -2.577571 -0.893741
H -4.443308 2.753166 0.276495
H -5.906197 1.765723 0.553031
H -4.724336 2.007961 1.867058
H 5.546868 0.688681 -0.909941
H 5.506178 0.927618 0.862609
H 7.438731 -0.601242 0.211045
H 6.244201 -1.489295 1.205549
H 6.286394 -1.727357 -0.568880


