%chk=000083170.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083170

0 1
 O    1.815600     -0.2421000      0.6168000    
 O   -1.109700       2.580000      0.8184000    
 O   -2.986400       2.424900     -0.4329000    
 O   0.9498000      0.6626000      -1.308400    
 N  -0.4100000      4.5800000E-02  0.4679000    
 C   -2.602300      -2.037400      0.1984000    
 C   -2.814800     -0.5145000      0.3554000    
 C   -1.680300      0.4154000     -0.1007000    
 C    3.133100     -0.1407000      6.4999998E-02
 C   -2.354700      -2.362700      -1.279500    
 C   -1.453700      -2.590300       1.039000    
 C   -2.011500       1.888100      8.1900001E-02
 C    3.420600       1.328600     -0.2402000    
 C    4.111600     -0.6741000       1.109200    
 C    3.193500     -0.9836000      -1.208000    
 C   0.7991000      0.1998000     -0.1825000    
 H   -3.022900     -0.3117000       1.415300    
 H   -3.733700     -0.2342000     -0.1775000    
 H   -3.528600      -2.532500      0.5161000    
 H   -1.567800      0.3092000      -1.187800    
 H   -2.336300      -3.447900      -1.429300    
 H   -3.153200      -1.956200      -1.909200    
 H   -1.398900      -1.967300      -1.638000    
 H  -0.4696000      -2.420200      0.5951000    
 H   -1.471500      -2.186500       2.056200    
 H   -1.558800      -3.678600       1.124700    
 H  -0.3814000     -0.2412000       1.441400    
 H    3.101100       1.971600      0.5882000    
 H    4.495900       1.484400     -0.3898000    
 H    2.941300       1.707600      -1.146300    
 H    3.876700      -1.713500       1.366200    
 H    4.036300     -0.1007000       2.040400    
 H    5.147600     -0.6299000      0.7581000    
 H    2.706800     -0.5324000      -2.076100    
 H    4.235200      -1.151000      -1.506800    
 H    2.727800      -1.963500      -1.051100    
 H   -1.346300       3.529200      0.8911000    


%chk=000083170-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083170

0 1
O 1.905508 0.150133 0.674436
O -1.782170 2.394996 1.682745
O -3.212724 2.469156 -0.146410
O 0.704271 -0.134267 -1.358742
N -0.339232 0.397275 0.672155
C -2.512094 -1.980770 -0.092936
C -2.693219 -0.576372 0.554285
C -1.684225 0.537070 0.113233
C 3.269423 -0.144445 0.062769
C -2.549453 -1.922363 -1.639642
C -1.261603 -2.750524 0.398948
C -2.303742 1.887787 0.480115
C 3.585292 0.912171 -1.014615
C 4.197253 -0.004259 1.281899
C 3.281956 -1.581758 -0.495782
C 0.755235 0.119791 -0.122218
H -2.651767 -0.666743 1.658340
H -3.707003 -0.212229 0.293707
H -3.401743 -2.556915 0.242563
H -1.584915 0.514952 -0.985754
H -2.600783 -2.942596 -2.062661
H -3.429687 -1.359988 -2.005027
H -1.636944 -1.444710 -2.042002
H -0.334228 -2.317608 -0.012605
H -1.187443 -2.745444 1.502554
H -1.311001 -3.804754 0.066959
H -0.177715 0.651520 1.647763
H 3.513482 1.929187 -0.589892
H 4.616537 0.764771 -1.384769
H 2.889302 0.826926 -1.863723
H 3.921413 -0.730452 2.065878
H 4.128341 1.011817 1.707153
H 5.243616 -0.190346 0.980781
H 2.601415 -1.676646 -1.356512
H 4.305871 -1.839866 -0.823027
H 2.978623 -2.301794 0.285247
H -2.236248 3.251799 1.905486


