%chk=000005241.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005241

0 1
 I   3.3500001E-02   2.042500      -1.341100    
 I    2.866000      -3.082300      0.4173000    
 I   -3.090600      -2.921300      0.3626000    
 O    4.855000       2.049900       1.397900    
 O    4.899500       1.408900     -0.7807000    
 N   -2.449600      9.9500000E-02 -0.6743000    
 N   -4.092300       1.514800      0.3789000    
 C    2.490900      1.2900000E-02 -0.6441000    
 C    1.166800     -0.6538000     -0.4159000    
 C    3.027300      0.7391000      0.5910000    
 C  -2.1199999E-02  3.7700001E-02 -0.6528000    
 C    1.127900      -1.972600      3.6699999E-02
 C   -1.248200     -0.5898000     -0.4371000    
 C  -9.8999999E-02  -2.600000      0.2525000    
 C   -1.287100      -1.908600      1.5500000E-02
 C    4.340500       1.428000      0.3085000    
 C   -2.936100      0.7567000      0.3315000    
 C   -4.945100       1.657800     -0.7925000    
 C   -4.638000       1.980400       1.646000    
 H    3.239400     -0.6993000      -1.008200    
 H    2.456600      0.6945000      -1.500300    
 H    2.319000       1.500500      0.9338000    
 H    3.188500      3.4200002E-02   1.413400    
 H  -0.1297000      -3.628800      0.6057000    
 H   -2.424800      0.7427000       1.312800    
 H   -5.565400      0.7644000     -0.9164000    
 H   -4.345300       1.795500      -1.698400    
 H   -5.605000       2.527200     -0.7052000    
 H   -5.234700       2.888700       1.512700    
 H   -3.838800       2.218600       2.355900    
 H   -5.274700       1.206600       2.086500    
 H    5.713800       2.481600       1.201800    


%chk=000005241-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005241

0 1
I 0.063006 2.237869 -1.060206
I 2.917989 -3.196246 0.203868
I -3.087011 -2.750129 0.778209
O 5.220656 1.911545 1.227802
O 5.174542 1.360206 -1.027635
N -2.377314 0.383755 -0.306341
N -4.372751 1.388918 0.444977
C 2.615221 0.048291 -0.779509
C 1.279889 -0.572259 -0.409167
C 3.293541 0.701866 0.447731
C 0.060340 0.156795 -0.462723
C 1.175935 -1.921923 0.034245
C -1.226364 -0.378897 -0.119700
C -0.056237 -2.508924 0.385066
C -1.234706 -1.744810 0.306545
C 4.626043 1.329408 0.094954
C -3.194705 0.722517 0.664982
C -4.815637 1.716975 -0.918824
C -5.248183 1.778922 1.556278
H 3.289763 -0.719981 -1.193862
H 2.483667 0.811011 -1.564472
H 2.648242 1.487627 0.884115
H 3.464206 -0.040688 1.250066
H -0.099237 -3.550689 0.707579
H -2.984121 0.520881 1.729775
H -5.764366 1.197667 -1.155046
H -4.035671 1.389595 -1.622444
H -4.971607 2.807434 -1.022036
H -5.400247 2.875457 1.571186
H -4.799419 1.476909 2.517277
H -6.238765 1.292201 1.466409
H 6.092401 2.314898 0.964899


