%chk=000027648.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027648

0 1
 I    1.218800      -1.992800       2.356100    
 I  -0.4161000       1.257200      -2.570200    
 I    5.033200       2.000600     -0.2856000    
 O   -3.949400       2.484400      0.5789000    
 O   -1.764200      -2.772600     -0.8337000    
 O   -4.007300      0.6361000       1.893800    
 N  -0.5672000     -0.8550000     -8.3600000E-02
 N    3.882500     -0.2490000       1.790100    
 C   -1.584500     -0.2811000      0.7539000    
 C   -2.486700      0.6887000     -1.0400000E-02
 C   0.7446000     -0.2042000     -0.1068000    
 C   -3.149200      2.1800000E-02  -1.217500    
 C  -0.7520000      -2.067700     -0.8130000    
 C   -3.546100       1.235900      0.9315000    
 C    1.651500     -0.5526000      0.8511000    
 C   0.9731000      0.7123000      -1.092200    
 C    2.898800      7.1000002E-02  0.8214000    
 C    2.220400       1.335800      -1.121900    
 C   0.4165000      -2.484100      -1.676700    
 C    3.183300       1.015300     -0.1651000    
 H   -1.129300      0.2302000       1.611300    
 H   -2.186800      -1.102900       1.162300    
 H   -1.900700       1.565900     -0.2856000    
 H   -3.693600      0.7703000      -1.806000    
 H   -2.501200     -0.5285000      -1.894200    
 H   -3.907400     -0.6937000     -0.8733000    
 H    2.442200       2.072400      -1.891600    
 H    1.324700      -2.625800      -1.087900    
 H   0.5904000      -1.775200      -2.486500    
 H   0.1842000      -3.450600      -2.137700    
 H    3.679900     -0.9336000       2.506300    
 H    4.784700      0.2068000       1.761800    
 H   -4.638100       2.830800       1.185600    


%chk=000027648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027648

0 1
I 1.142859 -2.009585 2.261942
I -0.108036 1.092098 -2.981718
I 5.069417 2.208269 -0.016634
O -4.016966 2.443534 0.634477
O -1.824881 -2.768806 -0.941911
O -3.351933 0.989171 2.312384
N -0.544091 -0.930108 -0.308187
N 3.750956 -0.066471 1.989213
C -1.619769 -0.447235 0.602715
C -2.514755 0.661620 -0.008535
C 0.726049 -0.256301 -0.267475
C -3.475692 0.128307 -1.105515
C -0.721836 -2.152622 -0.995670
C -3.303054 1.331975 1.108669
C 1.636574 -0.501789 0.801403
C 1.116830 0.680832 -1.265111
C 2.892672 0.177472 0.937446
C 2.351049 1.360302 -1.174421
C 0.472613 -2.678183 -1.782278
C 3.210985 1.121244 -0.092258
H -1.153745 -0.076400 1.531927
H -2.241761 -1.321175 0.861605
H -1.878242 1.447643 -0.462055
H -4.063003 0.953366 -1.541642
H -2.889145 -0.358105 -1.901650
H -4.164424 -0.627985 -0.690402
H 2.635923 2.078362 -1.945908
H 1.362836 -2.795573 -1.138926
H 0.740742 -1.997576 -2.610398
H 0.195748 -3.656818 -2.200615
H 3.503056 -0.739639 2.712119
H 4.638452 0.429132 2.052988
H -4.526429 2.847143 1.389019


