%chk=000055847.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055847

0 1
 O    2.997300     -0.4902000      0.3816000    
 O   -4.641500      0.5348000     -0.2306000    
 O   -3.460900      -1.383400     -0.1195000    
 N   -2.398100      0.7159000     -5.7399999E-02
 C    1.673400     -0.1941000      0.2726000    
 C   -1.040800      0.4129000      5.3599998E-02
 C    1.257500       1.136700      0.2274000    
 C   0.7319000      -1.221500      0.2082000    
 C  -9.9500000E-02   1.440200      0.1180000    
 C  -0.6251000     -0.9179000      9.8600000E-02
 C    3.919200      0.4368000     -0.1899000    
 C    5.160600     -0.3099000     -0.6295000    
 C   -3.474100     -0.1603000     -0.1331000    
 H    1.954800       1.965700      0.3028000    
 H    1.051100      -2.259700      0.2432000    
 H  -0.4103000       2.481500      8.9800000E-02
 H   -1.296800      -1.764300      5.3500000E-02
 H    3.503100      0.9329000      -1.075800    
 H    4.185500       1.188800      0.5609000    
 H   -2.631900       1.705400     -8.5500002E-02
 H    5.895500      0.3735000      -1.064000    
 H    5.619400     -0.8283000      0.2190000    
 H    4.908200      -1.075400      -1.370800    
 H   -5.417700     -6.2600002E-02 -0.2850000    


%chk=000055847-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055847

0 1
O 2.999940 -0.624216 -0.183443
O -4.761048 0.665865 0.130499
O -3.610564 -1.383524 0.109183
N -2.499578 0.715101 0.036224
C 1.655673 -0.222231 -0.129026
C -1.120157 0.356303 -0.017243
C 1.213903 1.124192 -0.128946
C 0.703191 -1.269929 -0.071757
C -0.168445 1.402809 -0.073287
C -0.673506 -0.993327 -0.016235
C 4.028464 0.431864 -0.252912
C 5.381074 -0.272309 -0.315669
C -3.586455 -0.127413 0.092318
H 1.921514 1.956799 -0.171510
H 1.063584 -2.303157 -0.072338
H -0.502982 2.448160 -0.074109
H -1.402006 -1.805677 0.026916
H 3.857073 1.055228 -1.155145
H 3.953823 1.080173 0.644934
H -2.723846 1.712201 0.032717
H 6.195904 0.472939 -0.362224
H 5.532999 -0.902253 0.577311
H 5.443619 -0.916755 -1.208951
H -5.541373 0.056656 0.170793


