%chk=000063370.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063370

0 1
 I    5.104800     -0.7206000       1.909900    
 O  -0.3550000      -2.007600     -0.3996000    
 N   8.8900000E-02  0.2950000     -0.1754000    
 N   -1.733900       1.789900      0.1456000    
 C    1.493200      0.1016000     -0.4124000    
 C  -0.4615000       1.561900      3.2900002E-02
 C   -2.178700     -0.6056000     -4.7400001E-02
 C  -0.7302000     -0.8536000     -0.2052000    
 C    2.365100     -0.1503000      0.6409000    
 C   -2.620500      0.7096000      9.6699998E-02
 C    1.962700      0.1717000      -1.719600    
 C   -3.090700      -1.667500     -6.8000004E-02
 C    3.723500     -0.3347000      0.3842000    
 C   0.4415000       2.766800      0.2013000    
 C   -3.993200      0.9534000      0.2213000    
 C    1.823300     -0.2194000       2.036500    
 C    3.321200     -1.2500000E-02  -1.976300    
 C    4.201700     -0.2658000     -0.9244000    
 C   -4.455200      -1.411000      5.7700001E-02
 C   -4.907000     -0.1014000      0.2012000    
 H    1.285300      0.3687000      -2.546200    
 H   -2.759600      -2.695800     -0.1829000    
 H    1.062000       2.895600     -0.6895000    
 H    1.090900       2.623700       1.069100    
 H  -0.1487000       3.675700      0.3504000    
 H   -4.359800       1.970400      0.3390000    
 H    2.296800      0.5402000       2.668100    
 H   0.7480000     -4.1900001E-02   2.116700    
 H    1.996400      -1.213200       2.463400    
 H    3.693300      4.1200001E-02  -2.995200    
 H    5.255700     -0.4062000      -1.150600    
 H   -5.165900      -2.232100      4.2100001E-02
 H   -5.969800      9.9399999E-02  0.2992000    


%chk=000063370-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063370

0 1
I 5.128024 -0.853558 1.967723
O -0.213033 -2.008779 -0.292434
N 0.065982 0.323997 -0.182260
N -1.782955 1.839805 0.121884
C 1.497408 0.141690 -0.393197
C -0.484618 1.619468 -0.020595
C -2.189139 -0.608616 -0.030526
C -0.746168 -0.868859 -0.176788
C 2.344194 -0.183052 0.706398
C -2.658443 0.736870 0.109082
C 1.989224 0.273980 -1.708606
C -3.108073 -1.690655 -0.031129
C 3.723036 -0.347354 0.402947
C 0.464887 2.792785 0.000516
C -4.054526 0.973735 0.244253
C 1.791052 -0.359923 2.102858
C 3.363459 0.103230 -1.965106
C 4.240466 -0.207793 -0.902508
C -4.483775 -1.441666 0.101974
C -4.954724 -0.104513 0.239389
H 1.289230 0.493963 -2.521130
H -2.712719 -2.705995 -0.138834
H 0.995803 2.907912 -0.961208
H 1.237523 2.677478 0.782023
H -0.123692 3.699676 0.198274
H -4.392857 2.008771 0.350015
H 2.357185 0.241058 2.836963
H 0.729078 -0.076051 2.159150
H 1.874295 -1.417066 2.415935
H 3.755168 0.200907 -2.982366
H 5.308168 -0.346541 -1.091946
H -5.195847 -2.273530 0.100113
H -6.029014 0.084223 0.342634


