%chk=000041015.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041015

0 1
 O    5.111000      0.7866000      -1.007700    
 O   -4.551000      0.8107000     -0.7177000    
 O   -3.977000     -0.5766000       1.020600    
 N    3.161000     -0.4160000      0.6457000    
 N    1.476500      -2.026500      0.1405000    
 N   0.1884000      -2.331300     -0.1717000    
 N   -2.052700      -1.650500     -0.6169000    
 N   -2.883100     -0.6562000      -1.021400    
 C    3.584400      0.9531000      0.8359000    
 C    4.019600       1.551600     -0.4994000    
 C    1.834000     -0.7310000      0.3256000    
 C    4.473000       2.995900     -0.3335000    
 C    4.156100      -1.479800      0.7811000    
 C   0.9211000      0.3061000      0.2064000    
 C  -0.3895000     -4.1999999E-03 -0.1114000    
 C  -0.7132000      -1.333900     -0.2917000    
 C   -3.817100     -0.1810000     -0.1300000    
 C   -5.566700       1.403300      9.9600002E-02
 C   -4.974900       2.579900      0.8460000    
 H    2.849200       1.575000       1.357200    
 H    4.448300      0.9560000       1.515600    
 H    3.214200       1.504900      -1.239500    
 H    4.822700       3.397000      -1.290900    
 H    5.314900       3.069600      0.3638000    
 H    3.657900       3.627300      3.2800000E-02
 H    3.852200      -2.191300       1.556600    
 H    4.272600      -2.017000     -0.1663000    
 H    5.139700      -1.090600       1.064400    
 H    1.155800       1.356000      0.3245000    
 H    5.849500      0.8604000     -0.3794000    
 H   -1.100100      0.8100000     -0.2016000    
 H   -2.316100      -2.610800     -0.7924000    
 H   -2.778000     -0.3240000      -1.973200    
 H   -6.018700      0.6758000      0.7830000    
 H   -6.359000       1.750800     -0.5715000    
 H   -5.740900       3.089900       1.437000    
 H   -4.173800       2.255900       1.518200    
 H   -4.532800       3.298000      0.1474000    


%chk=000041015-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041015

0 1
O 5.453993 0.553149 -0.878921
O -4.842188 0.632824 -0.631715
O -3.689712 -0.590779 1.034198
N 3.081979 -0.316527 0.804148
N 1.364058 -1.804167 0.190169
N 0.099222 -2.072043 -0.249579
N -1.981393 -1.484412 -1.111604
N -3.043554 -0.597878 -1.239228
C 3.709226 1.007234 0.845544
C 4.359518 1.465548 -0.489741
C 1.802925 -0.490978 0.281179
C 4.845968 2.924530 -0.416836
C 3.903204 -1.507625 1.098538
C 0.960379 0.598075 -0.128461
C -0.326769 0.313243 -0.587229
C -0.728135 -1.050661 -0.627605
C -3.836541 -0.223723 -0.153404
C -5.781831 1.156914 0.402206
C -5.211289 2.405286 1.080299
H 2.970114 1.767039 1.168347
H 4.493896 0.989080 1.628781
H 3.631455 1.345122 -1.310962
H 5.365814 3.194771 -1.351535
H 5.550543 3.070175 0.426051
H 4.001703 3.624636 -0.274254
H 3.278754 -2.278395 1.576597
H 4.338947 -1.941136 0.178939
H 4.721802 -1.211365 1.777690
H 1.301602 1.635490 -0.089284
H 6.180040 0.627390 -0.206399
H -1.006690 1.108223 -0.905910
H -2.201181 -2.467031 -0.918698
H -3.307969 -0.281801 -2.174194
H -5.975926 0.356021 1.137345
H -6.697630 1.376433 -0.169730
H -5.958356 2.824196 1.780111
H -4.304222 2.155182 1.655976
H -4.964255 3.181056 0.334869


