%chk=000046964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046964

1 1
 O   -2.524500     -0.1156000     -3.0000001E-04
 O   -4.433000       1.161800      2.1500001E-02
 N    3.813800     -0.3587000     -6.5000001E-03
 N   -4.522900      -1.156100     -1.6600000E-02
 C    2.331300      2.2200000E-02  3.9999999E-04
 C    4.600200      0.7430000     -0.7112000    
 C    3.975000      -1.691000     -0.7332000    
 C    4.376000     -0.5164000       1.404800    
 C    1.737200      0.1947000      -1.204700    
 C    1.738100      0.1546000       1.211100    
 C  -0.2888000      0.6954000      1.2300000E-02
 C   0.3863000      0.5419000      -1.198400    
 C   0.3871000      0.5017000       1.217200    
 C   -1.733100       1.066200      1.8999999E-02
 C   -3.883200      6.5399997E-02  3.1999999E-03
 C   -5.959500      -1.309200     -1.8600000E-02
 H    4.397200       1.694800     -0.2097000    
 H    5.665100      0.4998000     -0.6380000    
 H    4.318400      0.7871000      -1.766700    
 H    3.706000      -1.576500      -1.786800    
 H    5.026000      -1.990200     -0.6645000    
 H    3.339400      -2.436400     -0.2445000    
 H    3.858700      -1.333500       1.918400    
 H    5.434900     -0.7843000       1.313400    
 H    4.308000      0.4383000       1.937000    
 H    2.238500      7.9899997E-02  -2.158000    
 H    2.198900      1.9200001E-02   2.179200    
 H  -0.1301000      0.6877000      -2.143700    
 H  -0.1295000      0.6164000       2.166600    
 H   -1.968000       1.655800      0.9143000    
 H   -1.968600       1.685000     -0.8562000    
 H   -3.952100      -1.995600     -3.0800000E-02
 H   -6.463200     -0.3400000     -1.5000000E-03
 H   -6.241800      -1.890000      0.8629000    
 H   -6.242500      -1.858900     -0.9196000    


%chk=000046964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046964

1 1
O -2.556016 -0.178764 0.003431
O -4.501944 1.162369 -0.010753
N 3.892706 -0.365316 0.002230
N -4.602837 -1.194280 -0.025775
C 2.407024 0.010145 0.041257
C 4.680746 0.737001 -0.722912
C 4.066689 -1.699955 -0.739446
C 4.496847 -0.527608 1.396939
C 1.735758 0.190254 -1.189842
C 1.728808 0.179056 1.265154
C -0.334340 0.722188 0.030076
C 0.372086 0.544063 -1.186033
C 0.361522 0.534595 1.246964
C -1.798262 1.098926 0.025032
C -3.977189 0.022169 -0.011105
C -6.066949 -1.317845 -0.043543
H 4.524135 1.685939 -0.189414
H 5.748360 0.467333 -0.726779
H 4.314654 0.830775 -1.754036
H 3.686161 -1.601814 -1.764754
H 5.136907 -1.958364 -0.759473
H 3.493176 -2.472577 -0.206761
H 3.969207 -1.326715 1.936866
H 5.556160 -0.801736 1.279250
H 4.421900 0.422839 1.944235
H 2.242913 0.067018 -2.152625
H 2.218880 0.048559 2.232148
H -0.147841 0.681758 -2.139672
H -0.166863 0.664893 2.197124
H -2.081857 1.675841 0.923498
H -2.070224 1.698422 -0.862256
H -4.018113 -2.030421 -0.023168
H -6.497424 -0.304554 -0.042250
H -6.430120 -1.858383 0.848754
H -6.409359 -1.847313 -0.950562


