%chk=000019885.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019885

1 1
 O    1.002500     -7.0699997E-02  0.7409000    
 O    2.064300       1.074800     -0.9815000    
 N   -1.238200      -1.615400     -4.2199999E-02
 N    3.237000     -0.4127000      0.3581000    
 C   -1.284600     -8.6800002E-02  2.1400001E-02
 C   -2.601300      -2.129200     -0.4969000    
 C  -0.8888000      -2.154100       1.342200    
 C  -0.1864000      -2.120500      -1.027800    
 C  -0.1586000      0.5603000      0.4071000    
 C   -2.462000      0.4941000     -0.3188000    
 C  -0.2151000       1.953100      0.4593000    
 C   -2.518400       1.887000     -0.2664000    
 C   -1.395100       2.616400      0.1226000    
 C    2.112700      0.2732000     -5.3100001E-02
 C    4.532200     -0.2695000     -0.2650000    
 H   -2.812800      -1.790900      -1.517200    
 H   -2.542900      -3.224400     -0.5204000    
 H   -3.367200      -1.868100      0.2416000    
 H   -1.535400      -1.670400       2.081600    
 H   -1.089400      -3.231000       1.337300    
 H   0.1660000      -2.008200       1.579200    
 H   0.8180000      -2.004900     -0.6217000    
 H  -0.3638000      -3.188000      -1.196500    
 H  -0.2999000      -1.572400      -1.968200    
 H   -3.380400      2.0099999E-02 -0.6323000    
 H   0.6439000       2.537300      0.7790000    
 H   -3.436700       2.405400     -0.5276000    
 H   -1.440600       3.700600      0.1676000    
 H    3.147200      -1.058000       1.136800    
 H    4.804500      -1.230000     -0.7092000    
 H    5.257400     -1.1200000E-02  0.5104000    
 H    4.520300      0.5049000      -1.035500    


%chk=000019885-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019885

1 1
O 1.062665 -0.229443 0.458970
O 2.288814 0.864477 -1.285423
N -1.370027 -1.689144 -0.103415
N 3.357565 -0.271254 0.488771
C -1.344747 -0.164165 -0.016855
C -2.772072 -2.237536 -0.375809
C -0.893758 -2.300238 1.226210
C -0.468613 -2.160120 -1.259716
C -0.115966 0.516037 0.217849
C -2.534081 0.580911 -0.174521
C -0.096584 1.926087 0.271611
C -2.505056 1.990180 -0.117903
C -1.284142 2.662894 0.100648
C 2.309233 0.213977 -0.226328
C 4.754357 -0.098092 0.048988
H -3.144225 -1.850825 -1.335271
H -2.695358 -3.333999 -0.428224
H -3.448018 -1.957595 0.444717
H -1.570743 -1.959421 2.023597
H -0.926613 -3.397419 1.137573
H 0.128881 -1.956502 1.423092
H 0.560217 -1.839895 -1.060948
H -0.524881 -3.258153 -1.319929
H -0.833583 -1.702876 -2.190980
H -3.495180 0.093391 -0.346918
H 0.853674 2.439237 0.441696
H -3.433953 2.552756 -0.245942
H -1.254400 3.755457 0.142066
H 3.161869 -0.732116 1.378869
H 5.241733 -1.077741 -0.094372
H 5.324827 0.486690 0.790758
H 4.756562 0.445239 -0.908065


