%chk=000055263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055263

0 1
 O  -1.5000000E-03   2.184400     -0.3573000    
 O   -2.219700      -3.144400      0.2059000    
 N   -2.919300     -0.8988000     -0.1219000    
 N  -0.7266000      -1.305900      4.4199999E-02
 N    4.166400     -0.4696000      0.1857000    
 C   -2.237900      0.2941000     -0.2429000    
 C  -0.9237000      3.9799999E-02 -0.1420000    
 C   -2.982700       1.558800     -0.4479000    
 C   0.1884000      0.9710000     -0.2078000    
 C   -1.988100      -1.954400      6.3800000E-02
 C   -3.344500       2.236100      0.8670000    
 C    1.585600      0.4639000     -6.9399998E-02
 C    2.263400      8.3200000E-02  -1.199100    
 C    2.142000      0.3982000       1.182200    
 C    3.557100     -0.3787000      -1.017700    
 C    3.441000     -7.7799998E-02   1.257100    
 H   -2.402500       2.253800      -1.064400    
 H   -3.900400       1.361400      -1.016000    
 H   -3.927100     -0.9916000     -0.1610000    
 H   0.1720000      -1.760400      0.1494000    
 H   -3.897500       3.161100      0.6750000    
 H   -2.448200       2.491900       1.442100    
 H   -3.974300       1.588600       1.486400    
 H    1.825000      0.1350000      -2.188700    
 H    1.607600      0.6992000       2.075600    
 H    4.156500     -0.6980000      -1.863800    
 H    3.948500     -0.1588000       2.212800    


%chk=000055263-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055263

0 1
O -0.077920 2.135151 0.541779
O -2.419290 -3.196428 -0.648096
N -2.956587 -0.845679 -0.603566
N -0.858412 -1.416538 -0.199598
N 4.333534 -0.342370 0.100000
C -2.277888 0.346180 -0.358058
C -0.940861 0.003431 -0.103228
C -2.953013 1.686967 -0.371924
C 0.151811 0.917101 0.216530
C -2.104161 -1.988341 -0.501126
C -3.456499 2.110251 1.036784
C 1.578524 0.423667 0.169090
C 2.052961 -0.519480 -0.780230
C 2.519390 0.988279 1.067967
C 3.425135 -0.861371 -0.778278
C 3.866314 0.573753 1.003932
H -2.226282 2.441302 -0.717858
H -3.798618 1.668165 -1.087213
H -3.945284 -0.935035 -0.834256
H -0.038264 -1.982841 0.006741
H -3.969778 3.086126 0.975580
H -2.599662 2.213607 1.722868
H -4.163531 1.372139 1.456607
H 1.390531 -0.947282 -1.540208
H 2.190797 1.742547 1.789138
H 3.823233 -1.575180 -1.508225
H 4.613318 0.983979 1.692149


