%chk=000047086.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047086

0 1
 O    1.245700      0.4258000     -0.9092000    
 O    3.358700     -0.1888000     -0.4285000    
 O    1.829600     -7.6700002E-02   1.292700    
 N   -3.223100      -1.121800      4.1000000E-03
 C   -2.268000     -8.4500000E-02 -2.6300000E-02
 C  -0.9677000     -0.3459000     -0.4582000    
 C   -2.624000       1.202900      0.3757000    
 C  -2.3300000E-02  0.6803000     -0.4881000    
 C   -4.629300     -0.8309000     -0.1929000    
 C   -2.809400      -2.494300      0.2188000    
 C   -1.679700       2.229100      0.3458000    
 C  -0.3794000       1.967700     -8.6099997E-02
 C    4.372400     -0.5958000      0.4964000    
 C    2.127300      3.7900001E-02  0.1103000    
 C    5.670000     -0.8051000     -0.2547000    
 H  -0.6675000      -1.336900     -0.7886000    
 H   -3.624100       1.437600      0.7287000    
 H   -5.077100     -0.4392000      0.7264000    
 H   -5.184800      -1.733700     -0.4704000    
 H   -4.779800     -0.1077000      -1.002400    
 H   -2.043600      -2.565500      0.9996000    
 H   -2.420700      -2.931900     -0.7067000    
 H   -3.651500      -3.113600      0.5477000    
 H   -1.955600       3.231000      0.6613000    
 H   0.3514000       2.771700     -0.1068000    
 H    4.506100      0.1816000       1.256900    
 H    4.070200      -1.530900      0.9810000    
 H    6.468600      -1.117700      0.4239000    
 H    5.547200      -1.567200      -1.031300    
 H    5.975900      0.1170000     -0.7598000    


%chk=000047086-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047086

0 1
O 1.387866 0.826944 -0.125334
O 3.440500 0.023427 -0.013595
O 1.680592 -1.502297 0.241059
N -3.194518 -1.067117 0.194454
C -2.321337 0.011490 0.016655
C -0.904243 -0.198490 0.047913
C -2.813990 1.338094 -0.199159
C -0.048935 0.902619 -0.133957
C -4.644579 -0.848763 0.154302
C -2.661543 -2.417451 0.415880
C -1.916523 2.409566 -0.376343
C -0.519940 2.214916 -0.347458
C 4.406961 -1.106647 0.159020
C 2.107568 -0.339808 0.054091
C 5.800102 -0.502451 0.028992
H -0.480400 -1.188393 0.207428
H -3.888739 1.534222 -0.228224
H -4.980571 -0.152976 0.950770
H -5.163399 -1.808757 0.303613
H -4.972874 -0.432899 -0.820673
H -2.034343 -2.469058 1.329057
H -2.043122 -2.762992 -0.437565
H -3.496951 -3.124862 0.538192
H -2.313740 3.417483 -0.540183
H 0.191237 3.032851 -0.482887
H 4.233304 -1.564723 1.149621
H 4.198607 -1.865481 -0.616813
H 6.561912 -1.294077 0.149870
H 5.935810 -0.035928 -0.961355
H 5.969789 0.266059 0.801929


