%chk=000097495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097495

0 1
 O    6.586800      2.8300000E-02  3.3000000E-03
 O   -5.245600     -0.3817000      5.0000002E-04
 O   -4.933900       1.938400      2.4000001E-03
 N   0.2666000      -1.021900     -1.2000001E-03
 C    2.436200      5.8200002E-02 -1.9000000E-03
 C   -1.129300     -0.8598000     -7.9999998E-04
 C    3.142100       1.261200     -4.4999998E-03
 C    3.125100      -1.154800      1.9000000E-03
 C    5.225900      3.8300000E-02  3.9999999E-04
 C   -3.893700     -0.5396000     -9.9999997E-05
 C    4.537100       1.251200     -3.5000001E-03
 C    4.519900      -1.164600      3.1000001E-03
 C   0.9818000      6.9399998E-02 -2.3000001E-03
 C   -1.815600     -0.7811000      -1.208600    
 C   -1.814900     -0.7796000       1.207500    
 C   -3.201300     -0.6205000      -1.208200    
 C   -3.200500     -0.6192000       1.207700    
 C   -5.666900      0.9582000      6.9999998E-04
 C    7.245500       1.294100      2.2000000E-03
 C   -7.165300       1.025600      1.3000000E-03
 H    2.618500       2.213800     -7.1999999E-03
 H    2.601600      -2.107100      4.3000001E-03
 H    5.022300       2.221200     -5.5999998E-03
 H    5.051300      -2.112400      6.3999998E-03
 H   -1.284200     -0.8440000      -2.154300    
 H   -1.282900     -0.8414000       2.152900    
 H   0.4901000       1.060800     -3.3000000E-03
 H   -3.735100     -0.5598000      -2.152700    
 H   -3.733800     -0.5574000       2.152400    
 H    7.022100       1.864800      0.9100000    
 H    7.026400       1.860900     -0.9090000    
 H    8.322800       1.097800      5.1000002E-03
 H   -7.556800      0.5375000     -0.8945000    
 H   -7.481500       2.072600     -4.6000001E-03
 H   -7.555600      0.5473000      0.9030000    


%chk=000097495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097495

0 1
O 6.745694 -0.202547 0.001185
O -5.396165 -0.401621 -0.000113
O -5.504280 1.945331 -0.002545
N 0.272031 -0.688460 0.000848
C 2.535491 0.216914 -0.000122
C -1.143364 -0.545708 0.000525
C 3.344774 1.381395 -0.001532
C 3.171100 -1.060307 0.001713
C 5.364910 0.016016 0.000649
C -3.957788 -0.398105 0.000047
C 4.752528 1.295383 -0.001162
C 4.566919 -1.162451 0.002091
C 1.070551 0.346594 -0.000557
C -1.860633 -0.517096 -1.226682
C -1.860921 -0.514640 1.227506
C -3.268584 -0.439736 -1.226995
C -3.268866 -0.437255 1.227336
C -6.081120 0.842973 -0.001138
C 7.625069 0.971754 -0.000122
C -7.572172 0.587721 0.000180
H 2.867251 2.369399 -0.002944
H 2.538461 -1.953692 0.002809
H 5.351614 2.210398 -0.002262
H 5.072686 -2.132679 0.003487
H -1.308281 -0.561583 -2.170671
H -1.308783 -0.557241 2.171708
H 0.673914 1.384445 -0.001991
H -3.828225 -0.412000 -2.167248
H -3.828707 -0.407641 2.167414
H 7.467990 1.590179 0.904389
H 7.468383 1.587866 -0.906278
H 8.646068 0.563966 0.000620
H -7.854238 -0.010536 -0.883280
H -8.113547 1.544309 -0.006956
H -7.854562 0.003356 0.892891


