%chk=000138785.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138785

0 1
 O    1.203000     -5.9000002E-03   2.138700    
 O   -1.545000      0.4829000       2.015600    
 C    1.039700     -0.1401000      0.7136000    
 C  -0.2761000     -0.9533000      0.5265000    
 C    2.299900     -0.8645000      0.2079000    
 C   0.9251000       1.240300      4.9300000E-02
 C   -1.574900     -0.2764000       1.028200    
 C    3.519500     -0.2747000      0.4242000    
 C   0.8310000       1.300200      -1.319300    
 C    2.145000      -2.066300     -0.4352000    
 C   0.9213000       2.353400      0.8533000    
 C   -2.833600     -0.5481000      0.3525000    
 C    4.661700     -0.9312000     -3.3799998E-02
 C   0.7266000       2.553500      -1.922600    
 C    3.287400      -2.722700     -0.8931000    
 C   0.8168000       3.606800      0.2498000    
 C    4.545700      -2.155100     -0.6924000    
 C   0.7195000       3.706700      -1.138000    
 C   -3.041300      -1.781000     -0.2659000    
 C   -3.833600      0.4241000      0.3230000    
 C   -4.248500      -2.041900     -0.9139000    
 C   -5.041000      0.1632000     -0.3249000    
 C   -5.248400      -1.069800     -0.9434000    
 H  -0.2153000      -1.902400       1.076100    
 H  -0.4241000      -1.165700     -0.5394000    
 H    3.625300      0.6738000      0.9408000    
 H   0.8314000      0.4127000      -1.943500    
 H    1.196400      -2.553900     -0.6174000    
 H   0.9973000       2.317800       1.934100    
 H   0.3526000      0.2371000       2.539800    
 H    5.641700     -0.4901000      0.1237000    
 H   0.6498000       2.631500      -3.003200    
 H    3.198300      -3.676100      -1.405800    
 H   0.8117000       4.505100      0.8602000    
 H    5.435100      -2.666500      -1.048600    
 H   0.6380000       4.682500      -1.607700    
 H   -2.289100      -2.564600     -0.2447000    
 H   -3.688400       1.392500      0.7948000    
 H   -4.412000      -3.003300      -1.392000    
 H   -5.819300      0.9203000     -0.3489000    
 H   -6.188700      -1.273200      -1.447300    


%chk=000138785-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138785

0 1
O 1.108102 0.531202 2.098301
O -1.582074 0.829790 1.774077
C 0.997439 0.145714 0.680459
C -0.253278 -0.779339 0.515284
C 2.250852 -0.693095 0.352748
C 0.928845 1.413303 -0.201028
C -1.574880 -0.128759 0.934323
C 3.010613 -1.270485 1.398799
C 0.121510 1.516225 -1.360225
C 2.622295 -0.945203 -0.991715
C 1.749025 2.514713 0.155270
C -2.867856 -0.640987 0.378492
C 4.123991 -2.089644 1.103029
C 0.126442 2.695008 -2.142351
C 3.730781 -1.769425 -1.286488
C 1.759425 3.689360 -0.625040
C 4.485641 -2.347291 -0.239245
C 0.946408 3.785629 -1.779605
C -2.948805 -1.826374 -0.402923
C -4.058535 0.082721 0.667050
C -4.196036 -2.276318 -0.885506
C -5.300501 -0.362117 0.176070
C -5.372458 -1.543961 -0.601801
H -0.087580 -1.657574 1.172181
H -0.310301 -1.168712 -0.514892
H 2.726108 -1.052028 2.431543
H -0.527910 0.688072 -1.666868
H 2.063542 -0.476858 -1.810492
H 2.364482 2.436474 1.057099
H 0.225817 0.951281 2.324075
H 4.709830 -2.524989 1.920875
H -0.511022 2.759027 -3.031672
H 4.011169 -1.951534 -2.330319
H 2.398323 4.530695 -0.333147
H 5.349021 -2.982738 -0.467330
H 0.950612 4.699022 -2.385044
H -2.048744 -2.409647 -0.623481
H -3.976474 0.988126 1.277094
H -4.252703 -3.194068 -1.480499
H -6.211501 0.204458 0.396589
H -6.339114 -1.892076 -0.982585


