%chk=000031686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031686

0 1
 I   -1.994700       2.248800      -1.158000    
 I    1.348300      -2.776300     -0.3948000    
 I   -4.551100      -3.092100      0.4279000    
 I    7.142200      -1.302400      0.4874000    
 O   0.5153000      0.2820000      -1.010600    
 O    1.064000       3.095300       1.068000    
 O    1.152000       2.989900      -1.194000    
 O   -4.473900      0.8360000       1.856200    
 N   -4.256200      6.6200003E-02 -0.3599000    
 C    1.194500      0.9080000      7.5099997E-02
 C    2.588600      0.3877000      0.1732000    
 C  -0.6088000     -0.4345000     -0.7004000    
 C   -2.997300     -0.5507000     -0.3716000    
 C   -1.856600      0.1862000     -0.6899000    
 C    3.270200      6.0000003E-04 -0.9805000    
 C    3.211500      0.2893000       1.417400    
 C  -0.4979000      -1.789500     -0.3935000    
 C    1.126700       2.421400     -0.1101000    
 C   -2.888400      -1.906900     -6.4099997E-02
 C   -1.638800      -2.526300     -7.5099997E-02
 C    4.574600     -0.4850000     -0.8901000    
 C    4.516000     -0.1962000       1.508000    
 C    5.197700     -0.5832000      0.3541000    
 C   -4.893600      0.6961000      0.7120000    
 C   -6.244400       1.235700      0.3135000    
 H   0.6606000      0.6797000       1.010200    
 H    2.816300      8.7600000E-02  -1.964300    
 H    2.692200      0.5889000       2.323800    
 H   -1.552300      -3.584200      0.1645000    
 H    5.089400     -0.7767000      -1.802100    
 H    4.982900     -0.2641000       2.487300    
 H   -4.701400      0.1313000      -1.272800    
 H    1.034600       4.066400      0.9321000    
 H   -6.114000       2.075800     -0.3742000    
 H   -6.781800       1.579500       1.201600    
 H   -6.834200      0.4533000     -0.1726000    


%chk=000031686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031686

0 1
I -2.406372 2.276554 -1.025536
I 1.399233 -1.991740 -3.208635
I -3.372493 -3.691749 0.206599
I 3.666901 -1.935343 3.547588
O 0.360514 0.881640 -2.207002
O 2.023806 3.858057 -1.696739
O 2.931806 2.046541 -2.835476
O -2.263611 0.731108 2.071113
N -3.570781 -0.413705 0.503785
C 1.106173 1.712926 -1.173995
C 1.744442 0.871469 -0.083067
C -0.515169 -0.082993 -1.695611
C -2.499734 -0.753831 -0.368068
C -1.698010 0.251049 -0.979247
C 2.967457 0.181638 -0.283705
C 1.069982 0.746394 1.158627
C -0.262286 -1.451880 -1.981229
C 2.115708 2.497932 -2.009686
C -2.191402 -2.112306 -0.652824
C -1.114199 -2.462793 -1.489634
C 3.518669 -0.611624 0.744866
C 1.608976 -0.051534 2.192012
C 2.833220 -0.719547 1.976026
C -3.389723 0.294322 1.706133
C -4.668275 0.523651 2.499686
H 0.394816 2.427487 -0.729819
H 3.486271 0.256380 -1.244904
H 0.107694 1.242009 1.331960
H -0.911986 -3.510111 -1.721267
H 4.463989 -1.137497 0.584624
H 1.070779 -0.146513 3.138614
H -4.476279 -0.863030 0.346416
H 2.713728 4.364170 -2.207014
H -5.074131 1.521492 2.249625
H -4.427911 0.518152 3.573911
H -5.449603 -0.229176 2.295574


