%chk=000084958.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084958

0 1
 O   -2.619400       1.441300     -5.0000002E-04
 O   -2.709100     -0.7521000     -9.9999997E-05
 N    1.398500      -1.041200       0.000000    
 N   -2.056700      0.3197000      9.9999997E-05
 C   5.0400000E-02 -0.9408000      9.9999997E-05
 C  -0.6379000      0.2617000      5.0000002E-04
 C    2.087200      0.1221000       0.000000    
 C   0.1053000       1.436800      3.0000001E-04
 C    1.494400       1.374400       0.000000    
 C  -0.6886000      -2.239900     -9.9999997E-05
 C    3.575900      1.7800000E-02 -3.9999999E-04
 H  -0.3625000       2.417800      3.0000001E-04
 H    2.085300       2.284000     -9.9999997E-05
 H   -1.282000      -2.376400     -0.9098000    
 H   3.3399999E-02  -3.067100     -9.9999997E-05
 H   -1.282200      -2.376600      0.9094000    
 H    3.896800      -1.029100     -9.9999997E-05
 H    3.990900      0.4978000     -0.8923000    
 H    3.991500      0.4983000      0.8911000    


%chk=000084958-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084958

0 1
O -2.628659 1.590573 0.000166
O -2.851861 -0.673622 0.000289
N 1.395966 -1.021240 -0.000173
N -2.128545 0.396409 -0.000022
C 0.022868 -0.993673 -0.000114
C -0.650607 0.267506 -0.000041
C 2.120512 0.139071 -0.000144
C 0.089355 1.475290 0.000005
C 1.489108 1.414066 -0.000043
C -0.643270 -2.348827 -0.000138
C 3.625948 0.004146 -0.000244
H -0.452154 2.424643 0.000067
H 2.090072 2.328447 -0.000006
H -1.298052 -2.480131 -0.879172
H 0.146471 -3.114991 -0.000166
H -1.298054 -2.480165 0.878883
H 3.904698 -1.060011 -0.000026
H 4.068615 0.490281 -0.889647
H 4.068791 0.490725 0.888825


