%chk=000030826.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030826

0 1
 I  -0.1883000       2.386000     -0.9276000    
 I    1.868400      -3.182000      0.5804000    
 I   -3.969800      -2.372300     -0.2737000    
 O    4.595700      0.7935000     -0.2130000    
 O    1.929100      0.5360000       2.148300    
 O   -4.619200       2.203400     -6.9999998E-04
 O   -3.245400       1.201900       1.503900    
 N    1.890400      1.7200001E-02 -0.1474000    
 C    2.746900     -0.1970000      -1.320900    
 C   0.5444000     -0.5031000     -0.1838000    
 C    3.853100      0.8332000      -1.421300    
 C    2.446000      0.5479000       1.029500    
 C    3.799200       1.230400      0.8630000    
 C  -0.5275000      0.3331000     -0.4979000    
 C   -1.825100     -0.1780000     -0.5305000    
 C   0.3173000      -1.850600      9.7599998E-02
 C   -2.051400      -1.525200     -0.2490000    
 C   -2.984000      0.7129000     -0.8676000    
 C  -0.9803000      -2.361500      6.4999998E-02
 C   -3.599500       1.374100      0.3456000    
 H    2.133100     -0.1798000      -2.228300    
 H    3.204600      -1.185500      -1.230100    
 H    4.526800      0.5867000      -2.247700    
 H    3.463100       1.843300      -1.593600    
 H    3.625900       2.309500      0.7745000    
 H    4.373600       1.063600       1.780500    
 H   -3.773200      0.1742000      -1.399400    
 H   -2.717300       1.486500      -1.591900    
 H   -1.157100      -3.412400      0.2848000    
 H   -5.021800       2.634200      0.7833000    


%chk=000030826-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030826

0 1
I -0.149632 2.381649 -0.965479
I 1.987329 -3.117178 0.771862
I -3.976828 -2.469652 -0.060629
O 4.693283 0.674511 -0.280612
O 1.878904 0.516997 2.112138
O -4.712483 2.226876 -0.232851
O -3.427058 1.278889 1.457781
N 1.927100 0.051323 -0.176766
C 2.663943 -0.019975 -1.471351
C 0.593587 -0.485929 -0.141915
C 3.855837 0.942874 -1.456301
C 2.508343 0.491739 1.018031
C 3.953409 1.004581 0.942461
C -0.529466 0.309583 -0.499386
C -1.862717 -0.190761 -0.521232
C 0.359744 -1.835109 0.227518
C -2.028103 -1.548310 -0.129131
C -3.038399 0.667911 -0.928982
C -0.944207 -2.365895 0.249785
C -3.697110 1.386261 0.247630
H 1.968785 0.253039 -2.287546
H 3.017253 -1.055742 -1.639277
H 4.500474 0.771534 -2.333136
H 3.509276 1.998685 -1.451829
H 3.918640 2.105761 1.093050
H 4.516056 0.556807 1.776617
H -3.824177 0.061315 -1.415358
H -2.746512 1.439606 -1.662196
H -1.111568 -3.400173 0.554144
H -5.146005 2.688984 0.534961


