%chk=000052089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052089

0 1
 O    2.198000       2.382800      0.6749000    
 O    3.090600      -2.231100     -0.2497000    
 O    3.972800      0.3882000     -6.1600000E-02
 O   -1.654400      -1.171600       2.211200    
 N   -2.317200     -0.8389000     -5.7000001E-03
 C   8.3999997E-03 -0.5424000      0.7548000    
 C   -1.379200     -0.8688000       1.042500    
 C   -3.720600      -1.168400      0.2002000    
 C   -1.946400     -0.4750000      -1.371500    
 C   0.8990000      -1.550000      0.3842000    
 C   0.4492000      0.7774000      0.8514000    
 C    1.780900       1.089700      0.5773000    
 C    2.230600      -1.237600      0.1102000    
 C    2.671400      8.2199998E-02  0.2066000    
 C   -4.466500      7.4800000E-02  0.5547000    
 C   -2.098500      0.9999000      -1.541700    
 C    1.223800       3.350800       1.059700    
 C    3.205300      -2.515800      -1.642400    
 C    4.215500       1.307700      -1.123800    
 C   -5.466100      0.5791000     -0.1777000    
 C   -2.896400       1.566900      -2.453700    
 H   -4.123800      -1.673800     -0.6839000    
 H   -3.799700      -1.868900       1.039200    
 H  -0.9103000     -0.7511000      -1.583800    
 H   -2.563800      -1.040600      -2.078800    
 H   0.5592000      -2.580400      0.3088000    
 H  -0.2854000       1.514600       1.158300    
 H   -4.184700      0.5900000       1.469800    
 H   -1.521400       1.661800     -0.9048000    
 H    1.727900       4.322600       1.083100    
 H   0.4185000       3.429200      0.3214000    
 H   0.8471000       3.164600       2.071200    
 H    3.565300      -1.638300      -2.188300    
 H    2.241800      -2.840800      -2.047700    
 H    3.928500      -3.326200      -1.767900    
 H    5.151900       1.019900      -1.610700    
 H    3.419900       1.289700      -1.877000    
 H    4.338800       2.318100     -0.7240000    
 H   -5.974000       1.484600      0.1355000    
 H   -5.792400      0.1030000      -1.095700    
 H   -2.959400       2.646600      -2.533800    
 H   -3.497600      0.9700000      -3.130700    


%chk=000052089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052089

0 1
O 2.924174 2.056575 1.289138
O 2.384954 -2.096604 -1.278529
O 4.112371 0.026095 -0.176689
O -1.895965 0.246367 2.049367
N -2.513181 -0.470328 -0.067454
C -0.096104 -0.021333 0.464315
C -1.552364 -0.065198 0.858573
C -3.890688 -0.702899 0.457299
C -2.306542 -0.584118 -1.534059
C 0.526205 -1.031826 -0.294239
C 0.683622 1.030615 1.006790
C 2.069130 1.072843 0.764115
C 1.921941 -0.997033 -0.547097
C 2.713516 0.066059 -0.026523
C -4.685580 0.571427 0.688961
C -3.302700 0.221092 -2.348451
C 2.339670 3.025452 2.222884
C 3.679587 -2.072258 -1.980611
C 4.750767 1.189582 -0.829674
C -5.898346 0.827088 0.140277
C -4.002614 -0.281410 -3.395214
H -4.418214 -1.363765 -0.253288
H -3.782489 -1.229320 1.424497
H -1.287512 -0.221442 -1.754662
H -2.354161 -1.647697 -1.846850
H -0.028876 -1.889835 -0.683259
H 0.187233 1.763406 1.647114
H -4.222207 1.279849 1.387775
H -3.413991 1.276677 -2.064131
H 3.181801 3.655497 2.544747
H 1.571757 3.649234 1.726388
H 1.894950 2.514768 3.097504
H 4.520461 -2.070116 -1.270612
H 3.756117 -1.190626 -2.645196
H 3.674478 -2.994013 -2.583649
H 5.825702 0.953171 -0.848277
H 4.370998 1.307828 -1.864287
H 4.567633 2.108050 -0.249337
H -6.452070 1.743872 0.373653
H -6.373328 0.127789 -0.559886
H -4.674847 0.346218 -3.990005
H -3.918690 -1.335231 -3.691320


