%chk=000140462.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000140462

0 1
 O   -2.713900       2.795400     -0.2216000    
 O  -0.6801000       2.087500      0.2260000    
 N   -1.905500       1.883600      6.6699997E-02
 N   4.7600001E-02 -0.9776000      -2.640700    
 C   -1.564400     -0.5041000      0.5411000    
 C   -2.400700      0.5576000      0.2208000    
 C  -0.1207000     -0.3090000      0.7381000    
 C    2.250600     -0.1952000      9.6000005E-03
 C   0.8310000     -0.4033000     -0.2288000    
 C   -2.070500      -1.789900      0.6873000    
 C   -3.765600      0.3305000      4.4100001E-02
 C   -3.435400      -2.017100      0.5106000    
 C    2.798700       1.081500     -0.1135000    
 C    3.064100      -1.272600      0.3609000    
 C   -4.282800     -0.9568000      0.1891000    
 C    4.160300       1.280900      0.1150000    
 C    4.425500      -1.073100      0.5896000    
 C    4.973700      0.2036000      0.4667000    
 C   0.3877000     -0.7218000      -1.560900    
 H   0.1707000     -8.0100000E-02   1.762000    
 H   -1.423500      -2.626700      0.9387000    
 H   -4.460700       1.127700     -0.2068000    
 H   -3.838400      -3.019200      0.6235000    
 H    2.180600       1.932500     -0.3887000    
 H    2.652600      -2.274200      0.4609000    
 H   -5.345500      -1.134300      5.1700000E-02
 H    4.587400       2.274800      1.8700000E-02
 H    5.058900      -1.911900      0.8633000    
 H    6.033800      0.3589000      0.6446000    


%chk=000140462-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000140462

0 1
O -3.116705 3.079301 0.291241
O -0.953161 2.509387 -0.105681
N -2.187591 2.195914 0.135103
N 0.535737 -2.946922 -1.586007
C -1.585508 -0.283210 0.260067
C -2.567775 0.761341 0.216788
C -0.140666 -0.024393 0.373929
C 2.333554 -0.392928 0.071781
C 0.904156 -0.773139 -0.132620
C -2.092914 -1.616042 0.285744
C -3.956349 0.494510 0.202432
C -3.472662 -1.891833 0.257095
C 2.703443 0.946340 0.385116
C 3.358937 -1.371498 -0.050878
C -4.413298 -0.834891 0.218391
C 4.054562 1.283271 0.599732
C 4.710213 -1.030437 0.165209
C 5.064759 0.296930 0.497512
C 0.675339 -1.957807 -0.926288
H 0.136467 0.872383 0.932658
H -1.388054 -2.447619 0.359560
H -4.649043 1.338895 0.166348
H -3.813504 -2.932022 0.276292
H 1.945215 1.736075 0.420372
H 3.096025 -2.403672 -0.308794
H -5.486995 -1.044732 0.199114
H 4.322555 2.319988 0.830246
H 5.484417 -1.799561 0.072222
H 6.114347 0.563970 0.661313


