%chk=000056514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056514

0 1
 O  -0.3033000       1.332000      0.3193000    
 O    2.824400       1.231700      -1.442300    
 O   0.2895000       1.875400      -1.839100    
 N   -3.971800     -0.6801000      0.2042000    
 C   -1.660000       1.091800     -3.2000002E-02
 C   -2.495800       1.010100       1.241500    
 C   -1.772300     -0.2093000     -0.8216000    
 C   -3.934300      0.5937000      0.9369000    
 C   -3.233000     -0.5879000      -1.063300    
 C   -5.354800      -1.090100     -3.8500000E-02
 C   0.5761000       1.448200     -0.7266000    
 C    1.972000      0.9769000     -0.3217000    
 C    1.961100     -0.5280000     -5.8899999E-02
 C    1.784600     -0.9724000       1.232600    
 C    2.127600      -1.386300      -1.122900    
 C    2.477600       1.786200      0.8074000    
 C    1.774400      -2.346400       1.472600    
 C    2.117300      -2.760400     -0.8827000    
 C    1.940700      -3.240300      0.4150000    
 C    2.879900       2.455300       1.720100    
 H   -2.026400       1.932700     -0.6358000    
 H   -2.483900       1.978900       1.755300    
 H   -2.037800      0.2979000       1.941100    
 H   -1.264300      -1.018100     -0.2793000    
 H   -1.264000     -0.1358000      -1.789200    
 H   -4.468700      0.4899000       1.889000    
 H   -4.434700       1.387600      0.3668000    
 H   -3.697700      0.1462000      -1.734700    
 H   -3.254400      -1.557500      -1.575600    
 H   -5.892900      -1.208500      0.9087000    
 H   -5.385100      -2.064100     -0.5395000    
 H   -5.899000     -0.3669000     -0.6565000    
 H    1.630900     -0.3046000       2.073500    
 H    2.250500      -1.037500      -2.143200    
 H    2.837400       2.190700      -1.606500    
 H    1.631200      -2.720600       2.482200    
 H    2.242400      -3.456900      -1.706600    
 H    1.930300      -4.310200      0.6016000    
 H    3.236300       3.048200       2.529600    


%chk=000056514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056514

0 1
O -0.317729 0.670275 0.212628
O 2.909050 1.405648 -1.360178
O 0.291482 1.578834 -1.848609
N -4.442658 -0.384050 0.181260
C -1.787533 0.758707 -0.133529
C -2.539319 0.865102 1.195535
C -2.207933 -0.491479 -0.919369
C -4.059883 0.839248 0.923556
C -3.739579 -0.476129 -1.120259
C -5.905283 -0.520103 0.039262
C 0.577205 1.093720 -0.724244
C 2.070653 0.935402 -0.257243
C 2.367928 -0.558961 0.004880
C 2.103714 -1.146751 1.264320
C 2.870472 -1.353268 -1.051654
C 2.277008 1.780963 0.940676
C 2.338499 -2.524884 1.463457
C 3.104383 -2.731943 -0.849131
C 2.837140 -3.322917 0.407124
C 2.465464 2.508131 1.915976
H -1.923801 1.667266 -0.752106
H -2.261770 1.795478 1.723265
H -2.268260 0.006687 1.835860
H -1.924087 -1.391526 -0.344999
H -1.700203 -0.520897 -1.900001
H -4.604486 0.852146 1.885245
H -4.354670 1.768157 0.364276
H -4.017582 0.375875 -1.797445
H -4.052187 -1.408430 -1.624776
H -6.377847 -0.521170 1.037722
H -6.143841 -1.480768 -0.450907
H -6.371768 0.300533 -0.563209
H 1.720365 -0.528909 2.082881
H 3.101097 -0.877145 -2.008679
H 2.309456 1.894753 -1.993567
H 2.136414 -2.974379 2.442159
H 3.501989 -3.341005 -1.668737
H 3.021622 -4.391717 0.564208
H 2.646479 3.141006 2.765252


