%chk=000049987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049987

0 1
 O    3.102000     -0.8270000      0.2865000    
 O   -3.288300     -0.5168000      0.2480000    
 O  -9.2699997E-02   3.133600     -0.6455000    
 N   6.0000001E-03   1.150700      8.5699998E-02
 N   0.3413000       2.415300      0.2630000    
 C   0.9876000      0.2327000      0.6439000    
 C   -1.335500      0.8197000      0.5969000    
 C    2.163000      6.1500002E-02 -0.3051000    
 C   -2.007700     -0.2157000     -0.2907000    
 C    4.229400      -1.029700     -0.5547000    
 C   -3.971100      -1.482900     -0.5392000    
 C    5.189000      -1.981000      0.1277000    
 C   -5.322900      -1.760300      8.3400004E-02
 H    1.335000      0.5412000       1.641000    
 H   0.5634000     -0.7695000      0.7967000    
 H   -1.312900      0.4897000       1.645200    
 H   -1.990800       1.704200      0.6003000    
 H    1.820800     -0.3528000      -1.261500    
 H    2.655200       1.022900     -0.4948000    
 H   -2.123100      0.1774000      -1.308300    
 H   -1.414200      -1.136000     -0.3375000    
 H    4.729900     -7.3100001E-02 -0.7416000    
 H    3.906500      -1.455300      -1.511400    
 H   -3.387100      -2.409200     -0.5790000    
 H   -4.105700      -1.103100      -1.558200    
 H    6.070700      -2.159800     -0.4939000    
 H    5.512900      -1.576100       1.092200    
 H    4.701100      -2.939600      0.3330000    
 H   -5.877000      -2.501800     -0.4990000    
 H   -5.207200      -2.130000       1.107600    
 H   -5.916200     -0.8418000      0.1418000    


%chk=000049987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049987

0 1
O 3.144829 -0.607122 0.376028
O -2.933876 -0.727993 0.129842
O -1.175541 3.200985 -0.145346
N 0.056373 1.468770 0.582525
N 0.014737 2.762366 0.083422
C 1.401731 0.948572 0.873889
C -1.176177 0.708211 0.882841
C 1.816018 -0.196254 -0.069102
C -1.838516 0.103662 -0.370866
C 3.715051 -1.685214 -0.450165
C -3.801891 -1.228365 -0.949712
C 5.088712 -2.026430 0.124376
C -4.893543 -2.080961 -0.304981
H 2.106717 1.788653 0.761641
H 1.451533 0.587294 1.917886
H -0.921988 -0.100596 1.588699
H -1.899500 1.393136 1.361245
H 1.103750 -1.050059 -0.002622
H 1.838389 0.160736 -1.122721
H -2.218539 0.912486 -1.028255
H -1.113792 -0.515201 -0.946568
H 3.795717 -1.341752 -1.505437
H 3.039604 -2.569638 -0.426965
H -3.199012 -1.827249 -1.668923
H -4.238272 -0.367141 -1.502224
H 5.563666 -2.831713 -0.464961
H 5.746716 -1.140843 0.102933
H 4.997051 -2.364135 1.170933
H -5.582360 -2.472393 -1.075549
H -4.449945 -2.934277 0.236436
H -5.476241 -1.480132 0.414200


