%chk=000031809.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031809

0 1
 I   -3.685800      -2.055800      -1.206300    
 O    3.464400       2.079400      0.6290000    
 O    4.035700      0.5953000     -0.9886000    
 O   -4.534800      0.3934000      0.7799000    
 O    1.252300      -1.746700       1.813700    
 N    1.896400     -0.9725000     -0.2827000    
 C    1.818800      0.4568000      1.0500000E-02
 C   0.7964000       1.121400     -0.9244000    
 C  -0.6317000      0.9152000     -0.4746000    
 C   -1.333100     -0.1901000     -0.9268000    
 C   -1.210600       1.837400      0.3813000    
 C    3.217800       1.017000     -0.1809000    
 C   -2.651300     -0.3785000     -0.5113000    
 C   -2.528700       1.649100      0.7966000    
 C    1.604000      -1.938000      0.6525000    
 C   -3.249100      0.5411000      0.3504000    
 C    1.739200      -3.324300      8.1799999E-02
 H    1.544100      0.5900000       1.063700    
 H   0.9169000      0.7612000      -1.955400    
 H   0.9920000       2.201200     -0.9775000    
 H    2.203600      -1.252200      -1.210200    
 H  -0.8558000     -0.8986000      -1.599200    
 H  -0.6567000       2.701700      0.7361000    
 H   -2.979900       2.374200       1.468800    
 H    1.624700      -4.063900      0.8791000    
 H   0.9639000      -3.487800     -0.6720000    
 H    2.725300      -3.450100     -0.3745000    
 H    4.363700       2.445100      0.4882000    
 H   -4.763800       1.132400       1.369200    


%chk=000031809-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031809

0 1
I -3.823528 -1.277091 -2.420511
O 3.679559 2.275382 -0.142638
O 4.178604 0.252492 -1.174301
O -4.483273 -0.128764 0.500578
O 0.946344 -1.107570 1.988976
N 1.862806 -0.898706 -0.138299
C 1.996189 0.552749 -0.043320
C 0.922429 1.337412 -0.885688
C -0.501316 0.968746 -0.505516
C -1.310586 0.218838 -1.394836
C -1.050438 1.353010 0.742543
C 3.390422 0.960201 -0.508594
C -2.630718 -0.139317 -1.050770
C -2.366626 1.001529 1.091247
C 1.348743 -1.648906 0.914374
C -3.171098 0.248593 0.198073
C 1.281946 -3.151766 0.675300
H 1.868514 0.817187 1.022623
H 1.094717 1.129465 -1.958538
H 1.108397 2.415609 -0.724114
H 2.285561 -1.363019 -0.944991
H -0.907799 -0.087914 -2.365875
H -0.444460 1.921063 1.456844
H -2.774753 1.298883 2.065803
H 1.650660 -3.675291 1.572411
H 0.227114 -3.446400 0.530366
H 1.862306 -3.482022 -0.203439
H 4.577909 2.531633 -0.487229
H -4.739724 0.177373 1.405921


