%chk=000158278.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158278

0 1
 O    2.767000       1.502200      0.4392000    
 O    3.585800     -0.7631000      0.3654000    
 O   -1.646300      0.1334000     -0.9402000    
 N   -4.316800      -1.135000       1.211600    
 C    1.804900      0.6166000      6.2300000E-02
 C    2.272500     -0.6770000      2.0000000E-02
 C  -0.3470000     -0.1232000     -0.6209000    
 C   0.4979000      0.9268000     -0.2530000    
 C    1.458900      -1.731800     -0.3397000    
 C   0.1307000      -1.444800     -0.6641000    
 C    3.892600      0.6210000      0.6307000    
 C   -2.263400       1.247600     -0.2986000    
 C   -3.764600       1.014300     -0.2014000    
 C   -4.072200     -0.1871000      0.5886000    
 H   0.1801000       1.962800     -0.2295000    
 H    1.831100      -2.749400     -0.3718000    
 H  -0.5366000      -2.253600     -0.9513000    
 H    4.237000      0.7117000       1.667300    
 H    4.702100      0.9354000     -3.7999999E-02
 H   -1.874000       1.393300      0.7183000    
 H   -2.074500       2.150300     -0.8910000    
 H   -4.179600      0.8863000      -1.207900    
 H   -4.246300       1.889800      0.2468000    


%chk=000158278-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158278

0 1
O 2.875683 1.480776 0.582454
O 3.805353 -0.686598 0.102181
O -1.734824 -0.106442 -0.501594
N -5.017672 -0.662222 1.334348
C 1.857109 0.580008 0.187824
C 2.397247 -0.688015 -0.094621
C -0.338476 -0.220524 -0.334396
C 0.491492 0.861177 0.081272
C 1.586154 -1.751722 -0.501581
C 0.195720 -1.500982 -0.619588
C 4.143880 0.697974 0.519332
C -2.358188 1.176245 -0.173587
C -3.868013 0.996097 -0.408115
C -4.499700 0.074089 0.552225
H 0.109381 1.858271 0.308848
H 2.004167 -2.737853 -0.717099
H -0.490513 -2.293707 -0.928463
H 4.596546 0.673174 1.525547
H 4.805329 1.153940 -0.238205
H -2.149160 1.453585 0.878792
H -1.976258 1.974142 -0.843354
H -4.028982 0.613848 -1.432797
H -4.366975 1.981237 -0.336624


