%chk=000095999.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095999

0 1
 O    1.687500      -2.310200     -4.2300001E-02
 O   -2.767200      -1.303200     -0.1013000    
 O  -0.8109000       2.409600     -0.5067000    
 N  -0.8487000      0.1204000     -3.1599998E-02
 N  -0.6160000      -2.127200     -8.1000000E-02
 C   0.6013000     -0.1173000     -1.3000000E-03
 C    1.373000      0.4857000      -1.190100    
 C    1.293000      0.3890000       1.275500    
 C    2.423900       1.403100     -0.5685000    
 C    2.679900      0.8111000      0.8067000    
 C   0.6615000      -1.643200     -4.5699999E-02
 C   -1.556600      -1.121300     -7.4000001E-02
 C   -1.379300       1.424200     -3.2499999E-02
 C   -2.741500       1.579300      0.5927000    
 H   0.7451000       1.032000      -1.900400    
 H    1.882300     -0.2952000      -1.768500    
 H    1.352000     -0.3634000       2.069200    
 H   0.7721000       1.260900       1.688900    
 H    2.022400       2.418500     -0.4697000    
 H    3.333700       1.458500      -1.173200    
 H    3.338000     -6.2100001E-02  0.7279000    
 H    3.145800       1.529000       1.487800    
 H  -0.8464000      -3.113900     -0.1106000    
 H   -3.511300       1.334100     -0.1434000    
 H   -2.875800       2.614500      0.9199000    
 H   -2.842300      0.9311000       1.467300    


%chk=000095999-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095999

0 1
O 1.705424 -2.387048 -0.245563
O -2.827054 -1.266336 0.231963
O -0.594929 2.414411 0.186114
N -0.845196 0.113280 0.133062
N -0.634308 -2.133844 0.006947
C 0.636083 -0.137467 0.027117
C 1.348080 0.552226 -1.194183
C 1.437932 0.322295 1.300669
C 2.425664 1.485960 -0.584068
C 2.804800 0.787856 0.744877
C 0.686819 -1.675230 -0.095506
C -1.590466 -1.099781 0.139229
C -1.382092 1.428825 0.215561
C -2.885273 1.583460 0.332526
H 0.621748 1.089807 -1.824641
H 1.828449 -0.232474 -1.806638
H 1.519901 -0.483684 2.050689
H 0.905296 1.174822 1.754277
H 1.982625 2.475182 -0.377583
H 3.288796 1.616673 -1.259875
H 3.453649 -0.086152 0.549821
H 3.328725 1.456326 1.450569
H -0.910738 -3.116414 -0.026268
H -3.408341 1.126991 -0.524932
H -3.104261 2.660595 0.381258
H -3.275831 1.073721 1.229678


