%chk=000125408.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125408

0 1
 I   -4.553000       1.832000     -0.6573000    
 O    1.482700     -0.6425000      0.3986000    
 O    2.924900       1.302800       1.908200    
 O    3.353100      -2.011000      -1.266800    
 O   -1.337300       1.999200     -0.8481000    
 O   -4.699200      -1.291200      0.1902000    
 O    1.102200      0.9591000      -1.211800    
 N    2.829700     -0.3582000      0.2833000    
 C    4.866700      0.6452000      0.6213000    
 C    5.008800     -0.4548000     -0.4329000    
 C    3.424100      0.5957000       1.046600    
 C    3.638900      -1.067100     -0.5465000    
 C  -0.7413000     -0.2290000     -0.2770000    
 C   -1.707000      0.7337000     -0.4922000    
 C   0.6962000      0.1089000     -0.4342000    
 C   -1.064300      -1.522200      8.6199999E-02
 C   -3.050100      0.3905000     -0.3381000    
 C   -3.400300     -0.9091000      2.8100001E-02
 C   -2.407300      -1.865500      0.2403000    
 C   -1.107900       2.925600      0.2098000    
 C   -5.259600      -1.142100       1.492500    
 H    5.095800       1.629400      0.2021000    
 H    5.513900      0.4556000       1.482500    
 H    5.729800      -1.215000     -0.1185000    
 H    5.311600     -4.2100001E-02  -1.399600    
 H  -0.3130000      -2.290400      0.2432000    
 H   -2.671900      -2.881300      0.5219000    
 H  -0.1089000       2.773000      0.6293000    
 H   -1.853300       2.834800       1.006300    
 H   -1.158900       3.936800     -0.2033000    
 H   -4.926200      -1.965800       2.131400    
 H   -6.348600      -1.187800       1.405200    
 H   -4.983400     -0.1880000       1.952400    


%chk=000125408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125408

0 1
I -4.768966 2.175884 -0.479000
O 1.398339 -0.380194 0.777806
O 3.113067 1.842418 1.477038
O 2.928838 -2.300513 -0.760992
O -1.661543 2.465140 -0.492539
O -4.949119 -0.840439 0.417953
O 1.098053 1.099258 -1.049661
N 2.776038 -0.274792 0.463808
C 4.958686 0.588334 0.321199
C 4.903360 -0.790012 -0.393614
C 3.545004 0.857676 0.845624
C 3.450097 -1.267794 -0.296869
C -0.849681 0.180982 0.154937
C -1.875391 1.148877 -0.133940
C 0.564304 0.413512 -0.163847
C -1.233020 -1.111192 0.613537
C -3.238989 0.757997 -0.044531
C -3.593058 -0.553600 0.365570
C -2.575548 -1.484758 0.718830
C -0.502857 3.240893 0.001945
C -5.366268 -2.172667 0.878083
H 5.239755 1.410383 -0.358651
H 5.664966 0.608473 1.168347
H 5.557031 -1.544298 0.076887
H 5.183235 -0.733727 -1.458856
H -0.447677 -1.836658 0.839345
H -2.832382 -2.494438 1.047462
H 0.311522 3.210627 -0.737283
H -0.142319 2.850067 0.970974
H -0.890144 4.263822 0.123569
H -4.986236 -2.962830 0.203870
H -6.464398 -2.147003 0.841949
H -5.027801 -2.360225 1.914148


