%chk=000082482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082482

0 1
 O    1.706000       1.233100     -0.9392000    
 O   0.6242000     -0.3553000      0.4487000    
 O    4.938200      -1.172500     -2.6300000E-02
 O    2.335700      -2.353000     -0.4925000    
 O    4.695300       1.521400       1.151800    
 O   -5.377500       1.257200     -0.4254000    
 O   -5.630200     -0.8232000      0.2284000    
 N   -4.900900      0.1608000     -4.4399999E-02
 C    3.709100     -0.4936000      0.2378000    
 C    2.667300     -0.9956000     -0.7629000    
 C    3.916200       1.012900      7.4400000E-02
 C    1.393700     -0.1474000     -0.7346000    
 C    2.584600       1.753900      5.5599999E-02
 C  -0.7327000     -0.2285000      0.3274000    
 C   -1.278400      0.9802000     -9.3300000E-02
 C   -1.556400      -1.309300      0.6264000    
 C   -2.661800       1.109500     -0.2164000    
 C   -2.939800      -1.180100      0.5031000    
 C   -3.492500      2.9300001E-02  8.1600003E-02
 H    3.420400     -0.7523000       1.263500    
 H    3.100300     -0.9585000      -1.771100    
 H    4.468000       1.208800     -0.8524000    
 H   0.7893000     -0.4656000      -1.595700    
 H    2.094100       1.727100       1.036700    
 H    2.754300       2.813700     -0.1656000    
 H    5.601700     -0.8202000      0.5914000    
 H    3.164400      -2.862000     -0.4979000    
 H    4.222800       1.332700       1.980400    
 H  -0.6541000       1.840600     -0.3117000    
 H   -1.129500      -2.252900      0.9544000    
 H   -3.057400       2.067800     -0.5432000    
 H   -3.555800      -2.042700      0.7438000    


%chk=000082482-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082482

0 1
O 1.744370 1.359924 -0.950290
O 0.691782 -0.594052 0.019454
O 4.871905 -1.269040 0.098376
O 2.569600 -2.253268 -1.273891
O 4.525041 1.248776 1.647653
O -5.441110 1.184834 -0.423555
O -5.566666 -0.472371 1.140741
N -4.902726 0.271159 0.316662
C 3.598853 -0.553788 0.222741
C 2.835640 -0.837952 -1.080317
C 3.814719 0.961411 0.386697
C 1.503996 -0.070638 -1.088197
C 2.470042 1.713227 0.297354
C -0.683675 -0.323596 0.029680
C -1.301483 0.683226 -0.758805
C -1.448070 -1.127159 0.913994
C -2.692591 0.871091 -0.665778
C -2.833960 -0.934106 1.012297
C -3.444639 0.064342 0.216309
H 3.016281 -0.947463 1.084294
H 3.444081 -0.434551 -1.919497
H 4.509855 1.316607 -0.392943
H 0.965211 -0.186689 -2.043844
H 1.832914 1.474215 1.174586
H 2.622248 2.800723 0.238296
H 5.467043 -0.978826 0.836555
H 3.427693 -2.732921 -1.138293
H 3.916281 1.071076 2.411857
H -0.702557 1.333553 -1.400945
H -0.938207 -1.899442 1.496421
H -3.201990 1.638544 -1.254466
H -3.451281 -1.540548 1.679655


