%chk=000029388.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029388

0 1
 I    1.590800      -2.310800       2.288700    
 I  -0.4626000       1.047900      -2.386800    
 I    5.321500       1.272000     -0.9845000    
 O   -2.986600       2.247000       2.204300    
 O   -3.413900      -2.778600     -0.3610000    
 O   -2.504400       2.771300      4.6799999E-02
 O   -3.125600      -1.241400      -2.009200    
 N   -1.524600      9.4999997E-03  0.1032000    
 N    4.295200     -0.8429000       1.288400    
 C  -0.5193000      -1.051700      0.1483000    
 C   0.8683000     -0.5206000     -9.5200002E-02
 C   -1.248300       1.019100       1.124700    
 C   -2.864500     -0.5478000      0.2844000    
 C    1.927100     -0.9311000      0.7099000    
 C    1.080700      0.3833000      -1.132400    
 C    3.209000     -0.4332000      0.4760000    
 C    2.362400      0.8810000      -1.366200    
 C    3.426600      0.4728000     -0.5620000    
 C   -2.303000       2.087700       1.042500    
 C   -3.129100      -1.533400     -0.8200000    
 H  -0.6832000      -1.805100     -0.6337000    
 H  -0.6568000      -1.573900       1.092900    
 H  -0.2884000       1.533300       1.010200    
 H   -1.257500      0.5792000       2.130800    
 H   -3.662700      0.1987000      0.2059000    
 H   -2.973600      -1.041700       1.258400    
 H    2.532000       1.587900      -2.175800    
 H    4.141100      -1.500000       2.041400    
 H    5.222000     -0.4783000       1.112300    
 H   -3.658300       2.958900       2.138700    
 H   -3.600300      -3.404300      -1.093100    


%chk=000029388-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029388

0 1
I 1.489533 -1.901964 2.509011
I -0.119087 0.595698 -3.022375
I 5.392454 1.629832 -0.732091
O -1.708609 2.824976 2.175440
O -4.674722 -2.167891 -0.647756
O -3.270767 2.065462 0.635570
O -2.825457 -1.860795 -2.015509
N -1.576344 -0.272366 0.153547
N 4.165934 -0.309014 1.639140
C -0.463155 -1.215660 -0.177042
C 0.899308 -0.546161 -0.269670
C -1.292674 0.662431 1.251058
C -2.871377 -0.951781 0.318507
C 1.901060 -0.712037 0.727522
C 1.244450 0.258823 -1.394221
C 3.209865 -0.124896 0.659769
C 2.513293 0.867220 -1.502021
C 3.471505 0.675926 -0.496748
C -2.211991 1.879049 1.269730
C -3.386403 -1.675417 -0.916980
H -0.711766 -1.654132 -1.160173
H -0.412192 -2.049255 0.559795
H -0.262484 1.042195 1.149120
H -1.347428 0.202979 2.271957
H -3.636686 -0.198060 0.572497
H -2.867114 -1.704774 1.150012
H 2.752431 1.481239 -2.372528
H 3.969681 -0.883441 2.456145
H 5.080864 0.127776 1.544349
H -2.321105 3.609222 2.206048
H -5.017018 -2.640384 -1.454204