%chk=000063638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063638

0 1
 I   -7.033000       1.499900     -0.1264000    
 O    1.235800      0.3769000      1.5900001E-02
 O   -2.791000      -2.095600     -0.2108000    
 N  -0.7432000     -0.9381000     -5.0999999E-02
 N  -0.7577000       1.433000      0.1912000    
 N  -0.5088000      -3.232700     -0.6010000    
 C   -2.878900      0.2276000     -4.9199998E-02
 C   -2.157600       1.410100      0.1395000    
 C   -2.142800      -1.055100     -0.1356000    
 C  -0.1214000      0.3113000      7.8900002E-02
 C  -3.8999999E-03  -2.142700      1.1200000E-02
 C   -4.276900      0.2486000     -0.1235000    
 C    1.738000       1.697800      8.5800000E-02
 C   -2.856100       2.618100      0.2526000    
 C    3.234100       1.659500     -2.3800001E-02
 C   -4.958700       1.459400     -9.8000001E-03
 C   -4.249600       2.643200      0.1795000    
 C    1.193700      -2.113500      0.7006000    
 C    4.005800       1.546100       1.127300    
 C    3.835200       1.737800      -1.275000    
 C    1.928500      -3.292100      0.7665000    
 C    5.396500       1.510500       1.025600    
 C    5.225900       1.702200      -1.376600    
 C   0.2333000      -4.359600     -0.5154000    
 C    1.446000      -4.441100      0.1497000    
 C    6.006700       1.588600     -0.2263000    
 H   -4.831500     -0.6755000     -0.2674000    
 H    1.464000       2.170000       1.039000    
 H    1.342300       2.314600     -0.7329000    
 H   -2.315400       3.550900      0.3947000    
 H   -4.760900       3.598300      0.2698000    
 H    1.554800      -1.295500       1.310000    
 H    3.541200       1.481500       2.107400    
 H    3.237100       1.823900      -2.178000    
 H    2.860600      -3.324300       1.323000    
 H    6.004300       1.421100       1.921200    
 H    5.700900       1.762200      -2.351400    
 H  -0.1877000      -5.228000      -1.011200    
 H    1.998300      -5.372800      0.1945000    
 H    7.089400       1.560500     -0.3055000    


%chk=000063638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063638

0 1
I -7.263613 1.199250 0.017787
O 1.178751 0.554833 0.406367
O -2.602267 -2.159007 0.232872
N -0.709642 -0.759729 0.240967
N -0.897645 1.652609 0.276770
N 0.877924 -1.989637 -1.052330
C -2.938941 0.251682 0.201358
C -2.292975 1.528348 0.204453
C -2.135751 -0.986915 0.230770
C -0.186275 0.542782 0.292851
C 0.170259 -1.912436 0.102025
C -4.353783 0.155250 0.151130
C 1.850723 1.889039 0.333848
C -3.094479 2.702160 0.153398
C 3.315650 1.640822 0.055287
C -5.117532 1.329062 0.100861
C -4.494880 2.608219 0.100837
C 0.204310 -2.888862 1.119346
C 4.300581 2.413311 0.716938
C 3.715403 0.675500 -0.903601
C 1.040840 -4.010126 0.930422
C 5.670578 2.236282 0.415914
C 5.084231 0.492688 -1.195951
C 1.687448 -3.074191 -1.216641
C 1.800970 -4.105778 -0.257421
C 6.065787 1.275132 -0.541941
H -4.804143 -0.841351 0.147883
H 1.685882 2.417203 1.289526
H 1.353704 2.466466 -0.467462
H -2.595648 3.675554 0.157548
H -5.102609 3.517010 0.061001
H -0.412242 -2.775105 2.013924
H 4.000310 3.152877 1.469727
H 2.952001 0.062156 -1.395240
H 1.093853 -4.792386 1.694121
H 6.425118 2.839761 0.932571
H 5.387211 -0.258121 -1.934517
H 2.249689 -3.111952 -2.156238
H 2.461033 -4.958476 -0.443127
H 7.127468 1.133078 -0.772937


