%chk=000043937.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043937

0 1
 O    4.287900       1.610700     -0.1181000    
 O   -4.916100      0.6451000      0.6163000    
 O   -4.398900      -1.201800     -0.4605000    
 N   -1.652600     -0.5182000     -5.9099998E-02
 N   -2.363700       1.585600     -8.0399998E-02
 N    4.310100      0.3365000     -2.1500001E-02
 N   -4.063300     -9.2799999E-02  4.5200001E-02
 C  -0.5571000      0.2686000     -0.1336000    
 C   -2.729300      0.3239000     -2.8999999E-02
 C   0.7460000     -0.3274000     -0.1814000    
 C  -0.9933000       1.550100     -0.1468000    
 C   -1.709900      -1.964200     -1.7300000E-02
 C    1.854500      0.2905000      0.2529000    
 C    3.194000     -0.3524000      0.1623000    
 C    3.352800      -1.852500      0.2822000    
 C    5.639000     -0.3016000     -0.1114000    
 H   0.8325000      -1.318700     -0.6166000    
 H  -0.4170000       2.462500     -0.2013000    
 H   -2.490100      -2.279000      0.6803000    
 H   -1.909400      -2.330800      -1.027100    
 H  -0.7715000      -2.377600      0.3572000    
 H    1.822700       1.300800      0.6486000    
 H    4.116900      -2.108000       1.021300    
 H    3.617000      -2.276900     -0.6905000    
 H    2.426700      -2.323300      0.6230000    
 H    5.626700      -1.059300     -0.8976000    
 H    5.893200     -0.7286000      0.8612000    
 H    6.379900      0.4608000     -0.3698000    


%chk=000043937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043937

0 1
O 4.225994 1.731870 0.008882
O -5.011706 1.092925 -0.036107
O -4.584032 -1.155513 0.001094
N -1.759209 -0.590472 0.003226
N -2.288324 1.638117 -0.024516
N 4.328427 0.404731 0.022318
N -4.197157 0.096557 -0.016227
C -0.544812 0.123497 0.000822
C -2.780249 0.373370 -0.012631
C 0.748019 -0.514527 0.013329
C -0.923496 1.498637 -0.016341
C -1.839747 -2.065436 0.018797
C 1.943931 0.184360 0.012263
C 3.242999 -0.429839 0.024184
C 3.413668 -1.932484 0.039149
C 5.735446 -0.114336 0.035401
H 0.766416 -1.611018 0.024006
H -0.270943 2.368646 -0.022933
H -2.897498 -2.354756 0.021652
H -1.345675 -2.478050 -0.877971
H -1.345964 -2.458559 0.924370
H 1.948566 1.280300 0.002046
H 4.465019 -2.254063 0.037180
H 2.926894 -2.386417 -0.844737
H 2.934879 -2.368813 0.936271
H 5.937128 -0.721034 -0.863007
H 5.923766 -0.712843 0.942080
H 6.375363 0.777148 0.035897


