%chk=000065661.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065661

0 1
 O  -0.3604000      -1.097400      -1.926900    
 O    1.698700       3.101000     -0.8146000    
 O   -4.801900     -0.3319000      0.5947000    
 N    2.529200       1.015600     -0.2031000    
 N   -2.648000     -0.7687000     -0.2564000    
 C  -0.5754000      0.5373000     -0.2702000    
 C   0.1177000       1.694900      5.6100000E-02
 C    2.379700     -0.3757000      0.1306000    
 C    1.263400      -1.143200     -0.2273000    
 C   9.6699998E-02 -0.5833000     -0.9163000    
 C    1.503600       1.962500     -0.3764000    
 C   -1.933300      0.3967000      4.0800001E-02
 C  -0.5672000       2.727200      0.7156000    
 C    3.437600      -1.058900      0.7674000    
 C    1.205100      -2.524000      3.0999999E-02
 C   -2.601800       1.424700      0.7016000    
 C    3.903400       1.508400     -0.3688000    
 C   -1.917500       2.588000       1.043800    
 C    3.377400      -2.429700       1.040400    
 C    2.260700      -3.163900      0.6689000    
 C   -3.987600      -1.053900      2.8500000E-02
 C   -4.380000      -2.425900     -0.4592000    
 H  -6.2300000E-02   3.654400      0.9776000    
 H    4.337800     -0.5378000       1.084600    
 H   0.3332000      -3.108000     -0.2550000    
 H   -3.642800       1.409800      0.9864000    
 H    4.499500      0.7885000     -0.9391000    
 H    4.341400       1.681400      0.6193000    
 H    3.928300       2.456700     -0.9135000    
 H   -2.435100       3.394000       1.556300    
 H    4.208900      -2.918900       1.539500    
 H   -2.127200      -1.500900     -0.7324000    
 H    2.211800      -4.228700      0.8742000    
 H   -4.264300      -2.479200      -1.545400    
 H   -5.424000      -2.626000     -0.2027000    
 H   -3.747700      -3.182800      1.3500000E-02


%chk=000065661-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065661

0 1
O -0.618662 -1.745065 -1.212609
O 1.808010 3.117402 -0.388205
O -4.986799 -0.221106 0.439229
N 2.533964 0.934265 -0.258775
N -2.826386 -0.675913 -0.399219
C -0.626595 0.394981 -0.081705
C 0.111023 1.569401 0.287664
C 2.488970 -0.415646 0.201825
C 1.356696 -1.264957 0.022530
C 0.025351 -0.863504 -0.528761
C 1.521718 1.903290 -0.134793
C -2.070693 0.405999 0.095342
C -0.549398 2.650669 0.914927
C 3.674917 -0.965144 0.766366
C 1.462133 -2.638053 0.386643
C -2.695481 1.488719 0.773976
C 3.836755 1.452654 -0.756846
C -1.928754 2.585925 1.197092
C 3.747394 -2.317497 1.144483
C 2.635120 -3.169341 0.947024
C -4.189406 -0.946401 -0.226893
C -4.661444 -2.215097 -0.931004
H 0.029202 3.551667 1.132986
H 4.542565 -0.318788 0.923771
H 0.589914 -3.273441 0.206842
H -3.773755 1.443500 0.937315
H 4.388456 0.631918 -1.240406
H 4.444842 1.889373 0.056901
H 3.632958 2.254898 -1.480564
H -2.419264 3.418195 1.712585
H 4.669399 -2.703803 1.592159
H -2.254634 -1.338850 -0.962700
H 2.683988 -4.225930 1.227476
H -5.442663 -1.948945 -1.664253
H -5.127943 -2.884516 -0.187810
H -3.853902 -2.758556 -1.449096


