%chk=000028168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028168

0 1
 O   -3.770300       2.298200      -1.228500    
 O    3.131800      -1.366900      -2.388600    
 O   -1.602300       2.179400     -0.9049000    
 O    1.217500      -1.633400      -1.347700    
 N   -2.756800       1.704100     -0.7908000    
 N    2.371300      -1.147500      -1.416400    
 C  -0.4371000      0.2934000      0.2414000    
 C   0.6441000     -0.6145000      0.8573000    
 C   -1.824700     -0.2489000      0.3611000    
 C    2.036200     -4.2500000E-02  0.7457000    
 C   -2.922300      0.4491000     -0.1427000    
 C    2.832800     -0.3200000     -0.3558000    
 C   -2.010500      -1.478300      0.9936000    
 C    2.496300      0.7659000       1.775900    
 C   -4.205700     -8.2199998E-02 -1.3800000E-02
 C    4.116000      0.2217000     -0.4292000    
 C   -3.293800      -2.010000       1.122200    
 C    3.779500       1.308200       1.702600    
 C   -4.391400      -1.311700      0.6186000    
 C    4.589400       1.035800      0.6000000    
 H  -0.1799000      0.4248000     -0.8156000    
 H  -0.3684000       1.252200      0.7715000    
 H   0.6058000      -1.679900      0.6210000    
 H   0.4334000     -0.6466000       1.940400    
 H   -1.216200      -2.074500       1.424400    
 H    1.876700      0.9906000       2.639700    
 H   -5.086300      0.4305000     -0.3923000    
 H    4.777700      3.3700000E-02  -1.270900    
 H   -3.440200      -2.965500       1.617400    
 H    4.147700       1.943000       2.503300    
 H   -5.390500      -1.725400      0.7199000    
 H    5.588400       1.458300      0.5431000    


%chk=000028168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028168

0 1
O -3.891273 2.620466 -0.519991
O 3.715959 -1.867209 -2.016521
O -1.755365 2.173207 -1.159692
O 1.478988 -1.597362 -1.705973
N -2.866908 1.834461 -0.592937
N 2.710049 -1.335941 -1.405078
C -0.406787 0.146346 0.115489
C 0.663561 -0.711018 0.844862
C -1.845195 -0.318518 0.316097
C 2.044707 -0.085713 0.710942
C -2.990962 0.473142 -0.007566
C 2.993711 -0.365538 -0.314956
C -2.122955 -1.600325 0.863300
C 2.450165 0.859577 1.691152
C -4.317070 0.023571 0.200750
C 4.268334 0.250532 -0.363033
C -3.437552 -2.071500 1.061700
C 3.705874 1.499260 1.649916
C -4.544884 -1.257667 0.730643
C 4.623257 1.193631 0.616489
H -0.178689 0.152355 -0.965775
H -0.309007 1.200841 0.431845
H 0.660627 -1.732723 0.431414
H 0.414377 -0.771849 1.921814
H -1.288951 -2.251951 1.135497
H 1.753779 1.089771 2.505802
H -5.141658 0.691712 -0.060412
H 4.953618 -0.023374 -1.169375
H -3.595691 -3.073443 1.475029
H 3.970852 2.228886 2.422400
H -5.567826 -1.615777 0.881618
H 5.601114 1.683250 0.576448


