%chk=000097662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097662

0 1
 O   0.7576000       2.671800      7.5999998E-02
 O    3.409900       2.823200      5.6299999E-02
 O  -0.8017000      -3.570400     -0.1229000    
 O   -3.809000       1.997700      0.1006000    
 O   -4.838500     -0.5765000      1.9700000E-02
 N    1.845200      -3.355700     -0.1386000    
 C   0.7893000      0.2226000     -6.8000001E-03
 C    1.620500     -0.9242000     -5.4000001E-02
 C  -0.6851000      4.7200002E-02  1.4000000E-03
 C   -1.242000      -1.249000     -3.8600001E-02
 C    1.107100      -2.222200     -9.3800001E-02
 C    3.029500     -0.8083000     -6.2700003E-02
 C    1.419100       1.479500      3.0500000E-02
 C  -0.3507000      -2.432600     -8.7300003E-02
 C   -1.590000       1.124500      4.8599999E-02
 C    2.810800       1.598000      2.1800000E-02
 C    3.612200      0.4626000     -2.4400000E-02
 C   -2.629300      -1.456100     -3.2400001E-02
 C    3.817000      -1.964900     -0.1088000    
 C   -2.974400      0.9206000      5.5199999E-02
 C   -3.493100     -0.3677000      1.4400000E-02
 C    3.183400      -3.196000     -0.1450000    
 C   0.9911000       3.581500     -0.9961000    
 C    3.705200       3.362000       1.342400    
 C   -4.216200       2.553600      -1.147500    
 C   -5.467700     -0.7212000       1.291800    
 H   -1.292100       2.161000      9.2299998E-02
 H    4.694900      0.5722000     -3.1800002E-02
 H   -3.044900      -2.460300     -6.4499997E-02
 H    4.901700      -1.914200     -0.1166000    
 H    3.758800      -4.115100     -0.1811000    
 H    1.612500       4.413800     -0.6538000    
 H   2.4000000E-02   3.996100      -1.297800    
 H    1.436600       3.103700      -1.876200    
 H    2.793300       3.467700       1.938500    
 H    4.149000       4.351800       1.205300    
 H    4.424800       2.725900       1.867500    
 H   -3.348400       2.918700      -1.706000    
 H   -4.882200       3.397100     -0.9460000    
 H   -4.760500       1.812300      -1.741000    
 H   -5.065900      -1.590900       1.821300    
 H   -6.538000     -0.8742000       1.129100    
 H   -5.330900      0.1823000       1.894300    


%chk=000097662-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097662

0 1
O 0.867639 2.665598 0.003943
O 3.657585 2.788349 0.249912
O -0.810853 -3.642161 -0.546654
O -3.673662 2.074852 0.270880
O -4.801925 -0.622462 -0.050529
N 1.949736 -3.440866 -0.289169
C 0.913647 0.199283 -0.021937
C 1.747009 -0.987805 -0.074948
C -0.561888 0.035583 -0.043899
C -1.127155 -1.273240 -0.215058
C 1.195468 -2.313269 -0.227392
C 3.190148 -0.885929 -0.021011
C 1.581335 1.450440 0.030224
C -0.291859 -2.501048 -0.350263
C -1.470133 1.120692 0.114806
C 3.020005 1.534822 0.154171
C 3.808952 0.393645 0.116171
C -2.531798 -1.455884 -0.218282
C 3.962890 -2.084560 -0.082464
C -2.863969 0.933700 0.091518
C -3.411085 -0.379068 -0.048519
C 3.312825 -3.317851 -0.204167
C 1.085728 3.492198 -1.213482
C 3.360884 3.561761 1.482109
C -4.631364 2.350884 -0.828259
C -5.480840 -0.317352 1.232926
H -1.096948 2.133772 0.257358
H 4.895873 0.489931 0.197877
H -2.925688 -2.470348 -0.333086
H 5.055774 -2.032648 -0.035947
H 3.876679 -4.255841 -0.245749
H 2.154935 3.742099 -1.321372
H 0.488038 4.402266 -1.055102
H 0.721582 2.947386 -2.103554
H 2.278381 3.756637 1.574083
H 3.917346 4.504310 1.371300
H 3.726990 3.009439 2.367654
H -4.077294 2.620953 -1.746884
H -5.228760 3.208372 -0.484020
H -5.277068 1.476947 -1.023956
H -5.108123 -0.993744 2.024554
H -6.549147 -0.506620 1.049934
H -5.316991 0.734676 1.529586


