%chk=000031317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031317

0 1
 O   -1.584500       1.089800      -1.209600    
 O   -1.377800       2.461600       1.096000    
 O   -3.977300     -0.3239000     -0.3054000    
 N    3.250000      -1.291500     -0.5470000    
 C   0.6873000      0.4443000     -0.7107000    
 C    1.835100      0.5843000      0.2619000    
 C  -0.2441000       1.640400     -0.9583000    
 C    2.220600     -0.9287000      0.4353000    
 C    1.316200     -0.2105000      -2.016900    
 C  -0.3510000     -0.4249000     -1.7999999E-02
 C    1.516700       1.444200       1.484100    
 C  -0.2986000       2.694700      0.1885000    
 C    1.322800      -1.629200       1.487000    
 C   0.9999000       2.809300       1.000000    
 C    2.865800     -0.6434000      -1.862300    
 C  -0.1277000      -1.377100       1.004400    
 C   -1.611800     -3.9900001E-02 -0.4202000    
 C    4.592000     -0.9361000     -0.1149000    
 C   -1.248100      -2.015200       1.526900    
 C   -2.726800     -0.6784000      7.6300003E-02
 C   -2.534100      -1.678700       1.047100    
 C   -4.524500     -0.9909000      -1.444000    
 H    2.650200       1.143700     -0.2187000    
 H   7.4299999E-02   2.164000      -1.868200    
 H    2.947800     -0.7618000       1.250600    
 H    1.262600      0.4914000      -2.857100    
 H   0.7436000      -1.103300      -2.298000    
 H    2.425800       1.587200       2.079900    
 H   0.7735000      0.9928000       2.147900    
 H  -0.5167000       3.667300     -0.2693000    
 H    1.438500      -1.241600       2.506100    
 H    1.518300      -2.706800       1.484300    
 H   0.8411000       3.450200       1.875400    
 H    1.769900       3.288900      0.3831000    
 H    3.113300      -1.338800      -2.672500    
 H    3.470500      0.2583000      -2.028800    
 H    4.885600      -1.502400      0.7770000    
 H    4.715200      0.1332000      9.0800002E-02
 H    5.314900      -1.207100     -0.8931000    
 H   -1.145100      -2.766300       2.304500    
 H   -1.398300       3.199900       1.728400    
 H   -3.398000      -2.188300       1.469800    
 H   -4.588900      -2.068300      -1.261600    
 H   -3.914900     -0.7944000      -2.331700    
 H   -5.531900     -0.6029000      -1.616800    


%chk=000031317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031317

0 1
O -1.567124 0.687453 -1.405646
O -1.669695 2.054156 0.903416
O -3.839284 -1.300041 -0.492908
N 3.015525 -1.212079 -0.367238
C 0.734842 0.463243 -0.693121
C 1.841319 0.900935 0.298072
C -0.340387 1.517069 -1.102930
C 2.516865 -0.416016 0.801828
C 1.422997 -0.163225 -1.964936
C -0.167042 -0.557094 -0.009619
C 1.293133 1.830248 1.396672
C -0.673914 2.603485 -0.035304
C 1.562669 -1.314141 1.644457
C 0.600444 3.040479 0.728039
C 2.888564 -0.574722 -1.690558
C 0.185035 -1.446725 1.009205
C -1.470337 -0.428546 -0.515846
C 4.311478 -1.861457 -0.131199
C -0.836241 -2.334373 1.445759
C -2.497410 -1.292096 -0.081182
C -2.133900 -2.266818 0.892717
C -4.363398 -0.074145 -1.123584
H 2.614020 1.477188 -0.252911
H -0.089639 2.024598 -2.049782
H 3.376370 -0.121335 1.450062
H 1.413284 0.567503 -2.798277
H 0.844366 -1.045073 -2.289418
H 2.117001 2.172358 2.052460
H 0.556161 1.300888 2.028270
H -1.115552 3.478898 -0.558453
H 1.455758 -0.892067 2.666902
H 2.041521 -2.305098 1.763544
H 0.320146 3.803011 1.482499
H 1.302453 3.535340 0.024908
H 3.207711 -1.310789 -2.453199
H 3.567620 0.311015 -1.812154
H 4.285426 -2.423624 0.820228
H 5.170557 -1.143588 -0.076902
H 4.523982 -2.584352 -0.940340
H -0.630105 -3.067313 2.234885
H -1.878686 2.755218 1.572107
H -2.925678 -2.939884 1.237992
H -3.889219 0.103021 -2.104454
H -4.188467 0.803775 -0.476405
H -5.441771 -0.260182 -1.245456


