%chk=000087183.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087183

0 1
 O   -1.398700     -0.2658000      0.3665000    
 O    1.808400      -2.693200      -1.427900    
 O    3.813800      -2.675100     -0.3710000    
 O   9.0599999E-02 -0.1219000       2.109100    
 N   0.7463000     -0.8117000     -6.6000000E-03
 C    2.147000      -1.032200      0.2706000    
 C    2.959400      0.2199000      3.8699999E-02
 C    4.037600      0.4918000      0.8655000    
 C    2.611700       1.072500     -0.9965000    
 C    2.685900      -2.217600     -0.5112000    
 C   -2.447400      0.1801000       1.233800    
 C   -3.730000      0.2455000      0.4578000    
 C  -0.1612000     -0.3759000      0.9357000    
 C    4.788100       1.647800      0.6513000    
 C    3.362300       2.228400      -1.210700    
 C    4.450500       2.516100     -0.3868000    
 C   -4.078600       1.421100     -0.1980000    
 C   -4.558100     -0.8699000      0.4010000    
 C   -5.270800       1.482000     -0.9195000    
 C   -5.750300     -0.8089000     -0.3207000    
 C   -6.106600      0.3670000     -0.9810000    
 H    2.208500      -1.314800       1.330000    
 H   0.4052000     -0.9793000     -0.9489000    
 H    4.309800     -0.1787000       1.675400    
 H    1.779900      0.8650000      -1.663000    
 H   -2.197700       1.169200       1.637900    
 H   -2.549700     -0.5136000       2.077600    
 H    5.635800       1.871600       1.292200    
 H    3.102200       2.902900      -2.021400    
 H    5.035500       3.415600     -0.5543000    
 H   -3.433900       2.294800     -0.1587000    
 H   -4.289300      -1.791600      0.9096000    
 H   -5.548000       2.397300      -1.434100    
 H   -6.400800      -1.677300     -0.3692000    
 H   -7.034600      0.4143000      -1.543200    
 H    2.182500      -3.441700      -1.939700    


%chk=000087183-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087183

0 1
O -1.455114 -1.817811 0.535413
O 2.744438 -2.811126 -1.054436
O 4.317627 -2.186672 0.543649
O -0.227264 -0.434359 2.012689
N 0.777798 -1.565136 0.221388
C 2.120805 -1.045266 0.489529
C 2.422850 0.309567 -0.183344
C 3.022351 1.347571 0.566780
C 2.121765 0.517935 -1.551506
C 3.184270 -2.054607 0.046945
C -2.714689 -1.475577 1.281550
C -3.427714 -0.292556 0.662718
C -0.287351 -1.194638 1.009713
C 3.319007 2.586662 -0.044254
C 2.415387 1.756845 -2.161263
C 3.017067 2.793694 -1.409659
C -3.054924 1.032550 1.010358
C -4.476965 -0.493270 -0.269508
C -3.718710 2.134789 0.428703
C -5.143634 0.609168 -0.849880
C -4.764923 1.926468 -0.501230
H 2.234080 -0.919165 1.580284
H 0.631358 -2.204772 -0.560542
H 3.247614 1.191049 1.628065
H 1.650425 -0.281510 -2.134744
H -2.438212 -1.281558 2.332366
H -3.308672 -2.399647 1.201843
H 3.777577 3.388655 0.544513
H 2.175621 1.915073 -3.218640
H 3.244343 3.755210 -1.883355
H -2.237914 1.186643 1.724322
H -4.770303 -1.514896 -0.541804
H -3.423609 3.154161 0.701535
H -5.955053 0.443033 -1.567391
H -5.281688 2.783008 -0.948973
H 3.467658 -3.425814 -1.351534


