%chk=000100565.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100565

0 1
 O   -2.769600       2.406400     -0.3972000    
 O    6.089700      0.3628000     -0.2413000    
 O    5.600700      -1.681600      0.4060000    
 N   -3.345300      0.2604000      0.2936000    
 N    5.257700     -0.5373000      2.4000000E-02
 C   -4.976600      -2.053200     -0.3399000    
 C   -5.248800     -0.6882000     -0.9659000    
 C   -3.500600      -2.195300      2.0900000E-02
 C   -4.757400      0.4357000     -5.9700001E-02
 C   -3.020100      -1.040200      0.8993000    
 C   -2.458300       1.312700      7.7900000E-02
 C   -1.043800       1.108400      0.4486000    
 C  -0.2630000      0.6070000     -0.5191000    
 C  -0.6644000       1.514200       1.833900    
 C    1.168300      0.3107000     -0.3802000    
 C    2.102300       1.296000     -0.6692000    
 C    1.567000     -0.9506000      4.0500000E-02
 C    3.461900       1.014200     -0.5347000    
 C    2.926400      -1.232100      0.1751000    
 C    3.873900     -0.2498000     -0.1126000    
 H   -5.588900      -2.173500      0.5622000    
 H   -5.267900      -2.847300      -1.036200    
 H   -4.737900     -0.6266000      -1.934800    
 H   -6.321500     -0.5725000      -1.155700    
 H   -3.332800      -3.147600      0.5358000    
 H   -2.906800      -2.217200     -0.9016000    
 H   -4.920700       1.400100     -0.5509000    
 H   -5.326500      0.4476000      0.8776000    
 H   -3.521500      -1.072300       1.874000    
 H   -1.948700      -1.142800       1.084400    
 H  -0.6769000      0.3652000      -1.496100    
 H   0.3964000       1.351300       2.044800    
 H  -0.8716000       2.578400       1.988100    
 H   -1.237800      0.9435000       2.571700    
 H    1.794100       2.284900     -0.9987000    
 H   0.8382000      -1.724500      0.2680000    
 H    4.171300       1.804200     -0.7675000    
 H    3.209900      -2.227800      0.5063000    


%chk=000100565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100565

0 1
O -3.025686 2.498469 -0.246053
O 6.142917 0.272771 0.141906
O 5.718731 -1.858372 -0.558421
N -3.422483 0.261928 0.297660
N 5.333829 -0.676720 -0.199395
C -4.868590 -2.197186 -0.338543
C -5.160899 -0.866714 -1.073344
C -3.409245 -2.228812 0.176848
C -4.824490 0.348348 -0.180410
C -3.107979 -0.981478 1.038670
C -2.597853 1.372686 0.179232
C -1.127039 1.265254 0.532131
C -0.355934 0.341615 -0.132517
C -0.647911 2.326276 1.503115
C 1.102730 0.143717 -0.122611
C 2.054327 1.154600 0.216987
C 1.602722 -1.135664 -0.520066
C 3.434429 0.891781 0.192195
C 2.977202 -1.417737 -0.542865
C 3.882955 -0.396083 -0.177024
H -5.560642 -2.298232 0.523237
H -5.060194 -3.057879 -1.005907
H -4.557532 -0.810142 -2.000190
H -6.225552 -0.813116 -1.369707
H -3.228971 -3.139257 0.779627
H -2.711645 -2.257447 -0.684140
H -4.934406 1.303232 -0.718588
H -5.504272 0.370879 0.698021
H -3.743635 -1.012128 1.950739
H -2.057523 -0.960958 1.365431
H -0.896673 -0.373190 -0.771280
H 0.244035 1.999932 2.063843
H -0.406626 3.267535 0.973728
H -1.446282 2.574729 2.223198
H 1.715926 2.163600 0.458956
H 0.890210 -1.917812 -0.806974
H 4.169294 1.661944 0.441066
H 3.363153 -2.397069 -0.837155


