%chk=000088294.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088294

0 1
 O  -0.5234000     -0.7163000     -0.9847000    
 O    5.086700       1.511900      0.7309000    
 O    5.577500     -0.6133000      0.4821000    
 N   -3.866800      0.1466000      0.3049000    
 N    4.755800      0.3345000      0.4503000    
 C   -2.813300     -0.6715000     -0.2949000    
 C   -5.095100     -0.6325000      0.4562000    
 C   -4.113600       1.337700     -0.5068000    
 C   -1.521100      0.1206000     -0.4144000    
 C   -4.865700      -1.873200       1.294200    
 C   -5.159000       2.233300      0.1254000    
 C   0.7754000     -0.4578000     -0.6321000    
 C    1.157100      0.8411000     -0.3160000    
 C    1.697600      -1.497200     -0.5928000    
 C    2.478800       1.104100      4.4199999E-02
 C    3.019300      -1.234400     -0.2325000    
 C    3.409800      6.6299997E-02  8.5900001E-02
 H   -3.105900      -1.058700      -1.280300    
 H   -2.574400      -1.545300      0.3213000    
 H   -5.854200     -5.1199999E-02  0.9899000    
 H   -5.520400     -0.9179000     -0.5144000    
 H   -3.223000       1.968600     -0.5662000    
 H   -4.410200       1.083200      -1.532000    
 H   -1.236500      0.4704000      0.5872000    
 H   -1.616500      0.9712000      -1.093900    
 H   -4.338000      -2.659400      0.7453000    
 H   -4.315200      -1.648600       2.214400    
 H   -5.831300      -2.299000       1.590500    
 H   -6.172200       1.833300      2.0900000E-02
 H   -4.955000       2.410500       1.187100    
 H   -5.158400       3.209600     -0.3729000    
 H   0.4717000       1.681600     -0.3635000    
 H    1.396800      -2.511400     -0.8398000    
 H    2.749100       2.130400      0.2796000    
 H    3.717200      -2.067500     -0.2110000    


%chk=000088294-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088294

0 1
O -0.480026 -0.851373 -0.692611
O 5.259400 1.357644 1.062070
O 5.844568 -0.382119 -0.296059
N -4.039471 0.072442 -0.031269
N 4.961669 0.365477 0.285073
C -2.894588 -0.715552 -0.547486
C -5.170129 -0.762665 0.455662
C -4.456270 1.160395 -0.959228
C -1.582983 -0.080949 -0.067496
C -4.867722 -1.453650 1.798527
C -5.136905 2.340070 -0.239588
C 0.829380 -0.491107 -0.402322
C 1.194525 0.589125 0.448141
C 1.832681 -1.286265 -1.023113
C 2.554716 0.867912 0.671413
C 3.187284 -1.009406 -0.800438
C 3.538943 0.069979 0.048139
H -2.885716 -0.783831 -1.659170
H -2.945427 -1.750293 -0.166229
H -6.041915 -0.097762 0.591398
H -5.469912 -1.526784 -0.305029
H -3.547565 1.535417 -1.467452
H -5.126727 0.769273 -1.765394
H -1.508837 -0.139976 1.034860
H -1.516056 0.979999 -0.380415
H -4.008653 -2.145504 1.722962
H -4.632154 -0.699879 2.569798
H -5.740627 -2.043841 2.134120
H -6.072028 2.033777 0.262633
H -4.462083 2.759147 0.526999
H -5.392630 3.136571 -0.962793
H 0.433955 1.206882 0.932284
H 1.518967 -2.109875 -1.670627
H 2.868131 1.691084 1.318973
H 3.977806 -1.604669 -1.264235


