%chk=000029875.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029875

0 1
 O   -2.110200     -0.3656000      0.7355000    
 O    3.995600       1.547100      6.8700001E-02
 O    1.756600       1.803000     -0.2235000    
 O   -2.337300      0.3857000      -1.441200    
 N    2.657300     -0.3407000      0.1529000    
 N   -3.941300      0.9901000      0.1309000    
 C    1.384400      -1.024500      6.4300001E-02
 C   0.2592000     -0.3448000      0.4479000    
 C  -0.9672000      -1.004200      0.3643000    
 C    1.375500      -2.314100     -0.3965000    
 C   -1.022000      -2.318500     -9.9900000E-02
 C   0.1493000      -2.973400     -0.4801000    
 C    3.883500      -1.110800      0.4088000    
 C    2.712800       1.062300     -7.1999999E-03
 C   -2.771500      0.3481000     -0.2904000    
 C   -4.731600       1.765300     -0.8145000    
 C   -4.449700      0.9361000       1.497800    
 C    4.156600       2.958700     -0.1176000    
 H   0.2576000      0.6418000      0.8944000    
 H    2.269300      -2.839900     -0.7147000    
 H   -1.974200      -2.837700     -0.1681000    
 H   0.1056000      -3.995500     -0.8451000    
 H    4.284100      -1.456300     -0.5488000    
 H    3.667100      -1.961700       1.062200    
 H    4.641300     -0.4996000      0.9062000    
 H   -5.736000       1.335700     -0.8692000    
 H   -4.287600       1.759400      -1.813100    
 H   -4.793200       2.797900     -0.4587000    
 H   -4.507600       1.955800       1.889700    
 H   -3.811100      0.3413000       2.153500    
 H   -5.450100      0.4938000       1.481200    
 H    5.220800       3.192900     -2.9800000E-02
 H    3.611200       3.506800      0.6565000    
 H    3.813900       3.250000      -1.115000    


%chk=000029875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029875

0 1
O -2.063428 0.117093 -0.012239
O 4.312010 1.397767 0.643193
O 2.051556 1.962608 0.581386
O -3.821104 -1.351082 -0.651480
N 2.778630 -0.259498 0.128911
N -4.235220 0.831931 0.096390
C 1.487213 -0.837220 -0.156567
C 0.273413 -0.125387 0.028702
C -0.958399 -0.748941 -0.258798
C 1.421751 -2.178868 -0.634348
C -1.043259 -2.077849 -0.731141
C 0.173343 -2.769990 -0.910069
C 3.961958 -1.149364 0.040961
C 2.947953 1.087062 0.455023
C -3.420458 -0.234387 -0.228394
C -5.689490 0.671096 -0.057329
C -3.762379 2.135699 0.587728
C 4.566337 2.807616 1.007439
H 0.280060 0.905239 0.380919
H 2.325793 -2.766722 -0.801802
H -2.007313 -2.536863 -0.946784
H 0.146157 -3.801506 -1.278166
H 4.126652 -1.480042 -1.000796
H 3.814052 -2.035297 0.682978
H 4.846842 -0.601217 0.381006
H -6.199290 0.818453 0.914207
H -5.900174 -0.343251 -0.426424
H -6.086055 1.410986 -0.779062
H -4.078516 2.941598 -0.103004
H -2.668215 2.136009 0.660713
H -4.191960 2.345482 1.586685
H 5.659694 2.873892 1.102505
H 4.068915 3.056520 1.959844
H 4.194032 3.482934 0.219213


