%chk=000044593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044593

0 1
 O   -1.245100     -0.3400000     -0.7502000    
 O   -1.728100     -0.2682000       1.511600    
 N   -3.382900      0.3110000     -1.6700000E-02
 N   0.7624000       1.500000     -0.3462000    
 C    1.028700      0.1851000     -0.2310000    
 C    2.317600     -0.2878000      9.3199998E-02
 C   1.9099999E-02 -0.7518000     -0.4331000    
 C    2.560000      -1.667300      0.2054000    
 C   0.2598000      -2.123500     -0.3217000    
 C    3.334300      0.6550000      0.2968000    
 C    1.531700      -2.582300     -2.0000001E-03
 C    3.063000       2.010500      0.1788000    
 C   -2.099200     -0.1088000      0.3493000    
 C    1.771600       2.377200     -0.1418000    
 C   -4.380700      0.5904000       1.006200    
 C   -3.812000      0.5005000      -1.398600    
 H    3.552000      -2.037000      0.4551000    
 H  -0.5435000      -2.837000     -0.4847000    
 H    4.343700      0.3378000      0.5485000    
 H    1.722700      -3.647400      8.5400000E-02
 H    3.837100       2.753000      0.3330000    
 H    1.500400       3.422500     -0.2473000    
 H   -4.695800       1.633900      0.9149000    
 H   -3.986100      0.4249000       2.011800    
 H   -5.240300     -6.7400001E-02  0.8485000    
 H   -4.662900     -0.1586000      -1.593700    
 H   -3.018900      0.2745000      -2.113700    
 H   -4.119600       1.542200      -1.529000    


%chk=000044593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044593

0 1
O -1.426615 -0.914290 -0.498106
O -1.794552 -0.227734 1.736844
N -3.258294 0.403502 0.007066
N 0.344376 1.234619 -0.113829
C 0.851315 -0.055478 -0.107286
C 2.261168 -0.347882 0.055255
C -0.056113 -1.158454 -0.283099
C 2.717386 -1.704350 0.005160
C 0.409108 -2.471425 -0.336440
C 3.140409 0.767686 0.250870
C 1.805153 -2.742347 -0.197641
C 2.620067 2.062834 0.263126
C -2.140300 -0.196863 0.533818
C 1.212939 2.246298 0.066479
C -4.185906 1.082192 0.924370
C -3.551175 0.500841 -1.429896
H 3.786280 -1.915032 0.126778
H -0.311227 -3.282936 -0.475489
H 4.213336 0.588552 0.387153
H 2.151678 -3.780323 -0.239754
H 3.264064 2.934901 0.412805
H 0.787547 3.257018 0.056970
H -4.225451 2.166401 0.702842
H -3.834231 0.940533 1.957030
H -5.205330 0.662918 0.823052
H -4.515583 0.008801 -1.663177
H -2.752226 0.016863 -2.005059
H -3.618823 1.564554 -1.731042


