%chk=000034577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034577

0 1
 O    6.035500      2.1700000E-02  0.1943000    
 O   -6.225100     -0.9579000     -0.1599000    
 O   -6.189700       1.233200     -0.2902000    
 N   0.5316000      1.0200000E-02 -0.5268000    
 N  -4.4100001E-02  8.5600004E-02  0.5834000    
 N   -5.604400      0.1326000     -0.1462000    
 C    2.608200      -1.203300     -0.1796000    
 C    1.919800     -1.3000000E-03 -0.3443000    
 C    3.991300      -1.195800      1.5000000E-03
 C    4.685900      1.3800000E-02  1.7800000E-02
 C    2.614300       1.208200     -0.3280000    
 C    3.997300       1.215700     -0.1470000    
 C    1.885900      -2.510600     -0.1933000    
 C   -1.437600      9.7400002E-02  0.4006000    
 C   -4.196600      0.1208000      3.8300000E-02
 C   -2.141700      -1.102500      0.3826000    
 C   -2.102500       1.308900      0.2389000    
 C   -3.524600      -1.090800      0.2008000    
 C   -3.485500       1.320700      5.7200000E-02
 C    6.682300       1.293400      0.2001000    
 H    4.537500      -2.126800      0.1321000    
 H    2.086500       2.149900     -0.4563000    
 H    4.473900       2.190000     -0.1449000    
 H    2.579900      -3.358000     -0.2115000    
 H    1.262800      -2.610500      0.7012000    
 H    1.254700      -2.595600      -1.084200    
 H   -1.625700      -2.050500      0.5092000    
 H   -1.555700       2.248000      0.2532000    
 H   -4.045700      -2.044800      0.1916000    
 H   -3.975400       2.283200     -6.6100001E-02
 H    6.342200       1.914000       1.036100    
 H    6.578100       1.802400     -0.7641000    
 H    7.751300       1.111600      0.3514000    


%chk=000034577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034577

0 1
O 6.174025 0.061125 0.046262
O -6.348173 -1.147567 -0.063771
O -6.547484 1.125558 0.008565
N 0.569669 -0.429983 0.000655
N -0.167021 0.660136 0.034841
N -5.841689 0.042041 -0.021599
C 2.791500 -1.396757 -0.017633
C 1.969590 -0.215431 0.016645
C 4.188062 -1.237989 -0.005238
C 4.781592 0.050774 0.039028
C 2.576454 1.074491 0.061424
C 3.968998 1.219795 0.072620
C 2.175033 -2.780414 -0.066905
C -1.574237 0.410820 0.016873
C -4.368534 0.170845 -0.007912
C -2.178661 -0.881395 -0.034806
C -2.393968 1.573154 0.054693
C -3.575096 -1.002940 -0.046788
C -3.794336 1.461714 0.042432
C 6.860025 1.360142 0.088576
H 4.849884 -2.109037 -0.029897
H 1.919002 1.949018 0.086221
H 4.414125 2.218240 0.106607
H 2.956339 -3.558858 -0.072422
H 1.511719 -2.951147 0.798926
H 1.548676 -2.903319 -0.968164
H -1.531167 -1.762026 -0.064890
H -1.902648 2.550120 0.093472
H -4.069835 -1.977066 -0.086132
H -4.445666 2.338766 0.070239
H 6.606296 1.914293 1.011788
H 6.610779 1.971119 -0.799299
H 7.931446 1.114680 0.083487


