%chk=000001177.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001177

0 1
 O   -1.294700     -0.7337000     -0.7363000    
 O   -1.014900       2.679000      0.2337000    
 O   -3.262500       1.068500       1.651300    
 O   -3.402000      -2.610900     -0.7706000    
 O    1.798300       1.885000      -1.402400    
 O    4.618800      -1.090900      0.7033000    
 N   0.8485000      7.5400002E-02 -0.2700000    
 N    3.201300      0.4014000     -0.3538000    
 C   -1.136800       1.293700      0.5010000    
 C   -2.582600      0.8563000      0.4294000    
 C  -0.4978000      0.4533000     -0.5934000    
 C   -2.430800     -0.6254000      0.1359000    
 C   -3.650100      -1.235000     -0.5317000    
 C    1.931500      0.8627000     -0.7263000    
 C    1.085500      -1.063400      0.4907000    
 C    2.301400      -1.490400      0.8378000    
 C    3.486900     -0.7255000      0.4013000    
 H  -0.7131000       1.103600       1.494100    
 H   -3.122800       1.380600     -0.3681000    
 H  -0.5075000      0.9751000      -1.557800    
 H   -2.200200      -1.191500       1.047800    
 H   -3.844400     -0.7608000      -1.499300    
 H   -4.536400      -1.140800      0.1032000    
 H   -1.399200       2.858500     -0.6412000    
 H   -3.226000       2.021200       1.842700    
 H   0.2231000      -1.623000      0.8337000    
 H   -4.196000      -2.975000      -1.197800    
 H    3.994600      0.9519000     -0.6707000    
 H    2.447600      -2.379600       1.438600    


%chk=000001177-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001177

0 1
O -1.387007 -0.748982 -0.868769
O -1.187899 2.805023 -0.372088
O -3.353688 1.289451 1.444303
O -3.434173 -2.777081 -0.008146
O 1.524506 2.231868 -0.380263
O 4.663562 -0.999140 0.889569
N 0.839783 -0.013644 -0.288588
N 3.057927 0.576765 0.249248
C -1.206499 1.454506 0.142164
C -2.658819 0.944581 0.213288
C -0.517581 0.412609 -0.795406
C -2.483778 -0.582584 0.147840
C -3.701018 -1.363360 -0.303371
C 1.797729 1.009321 -0.152854
C 1.150854 -1.351416 -0.051874
C 2.403400 -1.749190 0.349762
C 3.475236 -0.773295 0.530908
H -0.756010 1.391851 1.156526
H -3.198034 1.322366 -0.681595
H -0.384959 0.829827 -1.810564
H -2.144630 -0.964902 1.131279
H -3.866785 -1.194779 -1.387761
H -4.575919 -0.990215 0.269768
H -0.220476 3.050452 -0.451917
H -3.438927 2.275177 1.490123
H 0.320495 -2.041898 -0.218625
H -4.197057 -3.329745 -0.310581
H 3.770620 1.306229 0.357747
H 2.628849 -2.799497 0.534978


