%chk=000043007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043007

0 1
 O   -4.087300      0.8265000      0.1640000    
 O   -2.593700       2.378700     -0.2592000    
 N    1.779800     -0.3907000     -0.3377000    
 N    1.262700      -2.515100      6.1299998E-02
 N    3.923600       2.590100      0.3278000    
 N   -2.901500       1.184000     -3.3300001E-02
 C   0.4186000     -0.4113000     -0.1730000    
 C    2.596100      0.7665000     -0.6199000    
 C   0.1203000      -1.748300      7.4699998E-02
 C    3.084500       1.444800      0.6568000    
 C    2.237800      -1.670100     -0.1883000    
 C  -0.5478000      0.5941000     -0.2183000    
 C   -1.216400      -2.122700      0.2926000    
 C   -1.873000      0.2036000      6.9999998E-04
 C   -2.203600      -1.130000      0.2518000    
 H    3.443000      0.4267000      -1.229200    
 H    2.010700       1.454500      -1.240700    
 H    2.236700       1.781600       1.263800    
 H    3.659000      0.7430000       1.271600    
 H  -0.2621000       1.622100     -0.4128000    
 H    3.285500      -1.926000     -0.2701000    
 H   -1.482900      -3.156400      0.4885000    
 H   -3.231500      -1.442300      0.4232000    
 H    3.398000       3.244500     -0.2508000    
 H    4.712000       2.284700     -0.2419000    


%chk=000043007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043007

0 1
O -4.112209 0.882957 0.258731
O -2.537059 2.442433 -0.278530
N 1.815700 -0.467821 -0.452166
N 1.233713 -2.639442 0.040671
N 3.863276 2.672782 0.337763
N -2.894467 1.229159 0.000264
C 0.429321 -0.458899 -0.221173
C 2.667973 0.703738 -0.717707
C 0.084007 -1.827248 0.080233
C 3.030579 1.503366 0.579767
C 2.230953 -1.791991 -0.273725
C -0.522679 0.571534 -0.258612
C -1.261022 -2.171465 0.357300
C -1.849414 0.182515 0.023681
C -2.230868 -1.157171 0.328738
H 3.596349 0.355071 -1.205627
H 2.150486 1.370929 -1.431946
H 2.096434 1.819405 1.080280
H 3.546188 0.820630 1.281667
H -0.300308 1.617128 -0.486111
H 3.273259 -2.084496 -0.394535
H -1.525714 -3.207313 0.586253
H -3.283375 -1.364699 0.535620
H 3.427340 3.503430 -0.058180
H 4.840038 2.527968 0.088940


