%chk=000032294.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032294

0 1
 I   0.4005000       2.340900     -0.6804000    
 I   -2.933000      -2.595800      0.7650000    
 I    2.928300      -3.169900     -0.1821000    
 O    2.573000      2.2000000E-03 -0.6684000    
 O   -3.448100       1.905200       1.517900    
 O    5.403700       1.524700      0.9201000    
 O    4.993400       1.091900      -1.277900    
 N   -2.160300      0.5075000      9.0700001E-02
 C   -2.874900      0.7518000      -1.139000    
 C   -4.336500      0.3371000      -1.005700    
 C  -0.9652000     -0.3316000      2.3100000E-02
 C   0.2221000      0.2650000     -0.2923000    
 C   -2.518800       1.116900       1.326700    
 C   -1.113700      -1.665200      0.2795000    
 C   -5.146600      0.6168000      -2.264000    
 C    1.358800     -0.5409000     -0.3564000    
 C   2.2900000E-02  -2.471000      0.2152000    
 C    1.259200      -1.908900     -0.1027000    
 C   -1.685700      0.7046000       2.518800    
 C    3.367400      0.4707000      0.4172000    
 C    4.653700       1.047800     -0.1052000    
 H   -2.401600      0.2236000      -1.974900    
 H   -2.831300       1.827600      -1.344000    
 H   -4.826800      0.8483000     -0.1720000    
 H   -4.425300     -0.7301000     -0.8121000    
 H   -5.147900       1.686400      -2.497000    
 H   -4.733200      7.8000002E-02  -3.122600    
 H   -6.184400      0.2965000      -2.128400    
 H  -5.3399999E-02  -3.538300      0.4132000    
 H  -0.6278000      0.9284000       2.368000    
 H   -1.823500     -0.3499000       2.758500    
 H   -2.011400       1.281600       3.391400    
 H    2.839800       1.252300      0.9725000    
 H    3.613400     -0.3522000       1.095300    
 H    6.250400       1.908300      0.6068000    


%chk=000032294-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032294

0 1
I 0.309990 2.384110 -0.481094
I -2.931631 -2.674631 1.117220
I 2.962138 -3.151643 -0.326869
O 2.522210 0.058491 -0.757078
O -3.759974 1.821258 1.542605
O 5.639079 1.376287 0.587377
O 5.015282 0.923432 -1.615102
N -2.269072 0.529073 0.321418
C -2.960582 0.929049 -0.943979
C -4.243125 0.124634 -1.246741
C -1.097011 -0.289876 0.242315
C 0.159493 0.276092 -0.134692
C -2.733941 1.081197 1.532734
C -1.124892 -1.691148 0.502770
C -4.943933 0.668326 -2.510900
C 1.330388 -0.513025 -0.285134
C 0.028287 -2.493957 0.364340
C 1.244632 -1.908054 -0.038732
C -1.935845 0.765125 2.791913
C 3.461598 0.500805 0.283470
C 4.747010 0.935060 -0.404082
H -2.236541 0.822221 -1.772595
H -3.220856 1.998936 -0.846555
H -4.921175 0.198805 -0.377687
H -3.995100 -0.944499 -1.381678
H -5.228723 1.729324 -2.381885
H -4.288643 0.598066 -3.400123
H -5.864747 0.097437 -2.726552
H -0.024552 -3.567503 0.555272
H -0.868728 1.025662 2.673983
H -1.998860 -0.307457 3.049251
H -2.363156 1.352274 3.617846
H 3.045803 1.358114 0.848166
H 3.691202 -0.318720 0.992017
H 6.491178 1.667034 0.163578


