%chk=000043712.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043712

0 1
 O   -2.613700       2.230500     -0.4766000    
 O    4.250500     -0.7993000       1.356400    
 N    3.389700     -0.1170000     -0.7296000    
 C   -1.638500       2.170700      0.5722000    
 C   -2.861400       1.309300      0.5871000    
 C  -0.3274000       1.574300      0.2328000    
 C   -2.751200     -0.1397000      0.2573000    
 C   0.4931000       1.049600       1.238500    
 C   0.1062000       1.528400      -1.097800    
 C   -2.892700     -0.5673000      -1.062900    
 C   -2.508600      -1.068800       1.269100    
 C    1.729100      0.4877000      0.9186000    
 C    1.342100      0.9662000      -1.417700    
 C    2.153500      0.4458000     -0.4096000    
 C   -2.792100      -1.923900      -1.371300    
 C   -2.407800      -2.425500      0.9605000    
 C   -2.549500      -2.852900     -0.3597000    
 C    4.332500     -0.6843000      0.1378000    
 C    5.546200      -1.183600     -0.6050000    
 H   -1.630100       3.013600       1.257100    
 H   -3.644900       1.590000       1.285000    
 H   0.1720000       1.076800       2.276900    
 H  -0.5047000       1.933000      -1.900600    
 H   -3.088800      0.1371000      -1.866800    
 H   -2.397000     -0.7462000       2.300900    
 H    2.300900      0.1055000       1.752500    
 H    1.660700      0.9414000      -2.456800    
 H   -2.903700      -2.257100      -2.399000    
 H   -2.218700      -3.148900       1.748200    
 H   -2.471100      -3.909100     -0.5998000    
 H    3.626800     -0.1094000      -1.719500    
 H    5.252100      -1.968300      -1.307700    
 H    6.271500      -1.593800      0.1031000    
 H    6.012300     -0.3590000      -1.151600    


%chk=000043712-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043712

0 1
O -2.511808 2.293845 -0.289880
O 4.920374 0.032024 1.298081
N 3.645838 -0.155344 -0.666857
C -1.504488 1.981663 0.794541
C -2.819996 1.219066 0.715908
C -0.176264 1.431599 0.396627
C -2.955671 -0.186142 0.213568
C 0.870251 1.400938 1.353198
C 0.086919 0.944099 -0.908089
C -3.145833 -0.453860 -1.163600
C -2.947132 -1.263059 1.136951
C 2.142436 0.879995 1.045593
C 1.353900 0.430007 -1.234154
C 2.390381 0.384201 -0.262469
C -3.317902 -1.782038 -1.614368
C -3.111681 -2.590483 0.685019
C -3.298475 -2.854010 -0.692758
C 4.813907 -0.311448 0.083754
C 5.979262 -0.943018 -0.676607
H -1.464566 2.756632 1.574407
H -3.582333 1.524827 1.449515
H 0.691328 1.789776 2.363575
H -0.699323 0.997831 -1.665943
H -3.171016 0.386648 -1.865448
H -2.804647 -1.063864 2.206254
H 2.942083 0.854914 1.787438
H 1.542677 0.062957 -2.251576
H -3.471206 -1.979037 -2.681453
H -3.095702 -3.417101 1.404179
H -3.431194 -3.884142 -1.042046
H 3.688844 -0.473249 -1.637552
H 6.270758 -1.879443 -0.170082
H 6.846983 -0.263099 -0.628134
H 5.760596 -1.165887 -1.735593


