%chk=000076747.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076747

0 1
 O    2.019200      0.5994000     -0.6781000    
 O    2.287000     -0.6952000       1.253400    
 N   -1.247400       1.652300      6.5300003E-02
 C   -1.474400      0.2953000      1.9700000E-02
 C  -0.2533000     -0.3160000     -0.2732000    
 C   0.7126000      0.7210000     -0.4014000    
 C   7.1400002E-02   1.919400     -0.1879000    
 C   -2.655000     -0.4305000      0.2133000    
 C  -0.2061000      -1.720300     -0.3786000    
 C   -2.245900       2.663100      0.3393000    
 C   -2.583800      -1.822100      0.1038000    
 C   -1.379200      -2.459200     -0.1876000    
 C    2.755200     -0.1654000      0.2544000    
 C    4.199700     -0.2417000     -0.1423000    
 H   0.4477000       2.933800     -0.1959000    
 H   -3.596100      5.9300002E-02  0.4402000    
 H   0.7218000      -2.234500     -0.6119000    
 H   -2.661600       2.476700       1.332800    
 H   -1.784000       3.653300      0.3115000    
 H   -3.023600       2.596100     -0.4258000    
 H   -3.483000      -2.415600      0.2479000    
 H   -1.349000      -3.542500     -0.2694000    
 H    4.287600     -0.7196000      -1.121000    
 H    4.746600     -0.8414000      0.5906000    
 H    4.629000      0.7628000     -0.1638000    


%chk=000076747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076747

0 1
O 2.112739 0.602886 -0.460821
O 2.539513 -1.024729 1.182248
N -1.300090 1.680681 0.096158
C -1.533510 0.298677 0.047046
C -0.267095 -0.370050 -0.128498
C 0.723236 0.682444 -0.178627
C 0.075816 1.907609 -0.044593
C -2.752851 -0.411211 0.136105
C -0.239738 -1.786779 -0.214068
C -2.330810 2.706271 0.261237
C -2.696825 -1.815383 0.041349
C -1.453230 -2.493804 -0.131822
C 2.945351 -0.285280 0.266727
C 4.358414 -0.179247 -0.263412
H 0.496431 2.910461 -0.049222
H -3.708935 0.105371 0.273460
H 0.709384 -2.319472 -0.318624
H -2.874439 2.570733 1.214451
H -1.858610 3.701250 0.269657
H -3.060138 2.673057 -0.569386
H -3.622818 -2.397517 0.106552
H -1.446144 -3.587616 -0.191588
H 4.386269 -0.464711 -1.329420
H 5.020653 -0.838732 0.315359
H 4.712826 0.863590 -0.194965


