%chk=000002528.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002528

0 1
 I   3.1500001E-02   3.119300     -0.8941000    
 I    2.867600      -2.204000      5.2600000E-02
 I   -3.233600      -1.985400     -0.1475000    
 O    4.148100       1.996100      0.6484000    
 O  -0.2803000      -3.478500       1.452300    
 O  -0.2299000      -4.036800     -0.7505000    
 O   -3.000400       1.770100       1.566900    
 N    2.364600      0.9349000     -0.4734000    
 N   -2.474200       1.108300     -0.6322000    
 C    1.123200      0.2866000     -0.4007000    
 C   -1.289900      0.3730000     -0.4797000    
 C  -5.5000000E-02   1.017600     -0.5519000    
 C    1.066600      -1.089200     -0.1773000    
 C  -0.1682000      -1.733800     -0.1051000    
 C   -1.346500      -1.002700     -0.2563000    
 C    3.069200      0.9629000      -1.788900    
 C    3.023500       1.489800      0.6729000    
 C  -0.2277000      -3.177400      0.1294000    
 C    2.278800       1.486900       1.988200    
 C   -3.228400       1.736100      0.3619000    
 C   -4.439100       2.426300     -0.2146000    
 H    4.052700      0.4988000      -1.672400    
 H    3.215400       2.009100      -2.073400    
 H    2.488100      0.4428000      -2.555400    
 H   -2.868600       1.080700      -1.570000    
 H    1.941100      0.4799000       2.243000    
 H    1.424900       2.165200       1.945600    
 H    2.947700       1.826500       2.785200    
 H   -4.139600       3.093700      -1.027700    
 H   -4.932600       3.017500      0.5618000    
 H   -5.140400       1.678500     -0.5949000    
 H  -0.3195000      -4.446700       1.605900    


%chk=000002528-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002528

0 1
I 0.033271 2.986474 -1.254965
I 2.870136 -2.229271 0.292092
I -3.259100 -2.125983 -0.289531
O 3.984931 2.250632 0.628034
O -0.359838 -3.714942 1.324944
O -0.137207 -4.178151 -0.945697
O -2.225373 2.284486 1.273858
N 2.395557 0.914767 -0.424483
N -2.554769 1.025884 -0.668701
C 1.136978 0.237365 -0.398772
C -1.341900 0.291675 -0.563553
C -0.077475 0.937836 -0.649504
C 1.064231 -1.162092 -0.150508
C -0.171059 -1.853523 -0.169207
C -1.362526 -1.114552 -0.352613
C 3.169320 0.906208 -1.686094
C 2.887063 1.628942 0.695463
C -0.214679 -3.353915 -0.012487
C 2.032385 1.587731 1.955294
C -2.952266 1.980551 0.291411
C -4.302359 2.624964 0.010168
H 4.100378 1.462748 -1.494105
H 2.605732 1.406682 -2.494249
H 3.413958 -0.127288 -1.988770
H -3.248402 0.717816 -1.354607
H 1.848758 0.550080 2.287485
H 1.049354 2.068222 1.799203
H 2.571218 2.129249 2.746059
H -4.149121 3.549595 -0.576796
H -4.768717 2.905283 0.966788
H -4.988094 1.967111 -0.552584
H -0.381284 -4.708485 1.404527


