%chk=000046546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046546

0 1
 O  -0.7515000      -1.941500      -1.484700    
 O   0.4894000       1.965000      -1.204600    
 N   -2.087300       1.049700      0.2739000    
 C   -2.021000     -0.3604000     -0.1301000    
 C  -0.7999000     -0.5793000      -1.051600    
 C   0.5265000     -0.2861000     -0.3834000    
 C   -1.959700      -1.212600       1.138800    
 C    1.096200      0.9704000     -0.4983000    
 C    1.142700      -1.297100      0.3346000    
 C   -3.273500       1.294700       1.075500    
 C    2.318900       1.223900      0.1233000    
 C    2.365500      -1.043600      0.9562000    
 C    2.953600      0.2168000      0.8504000    
 H   -2.919600     -0.6402000     -0.6953000    
 H  -0.9035000      2.1400001E-02  -1.963500    
 H   -1.717300      -2.254200      0.9010000    
 H   -1.220600     -0.8520000       1.862900    
 H   -2.930000      -1.248900       1.646800    
 H   -1.263800       1.309600      0.8146000    
 H   0.7103000      -2.287300      0.4395000    
 H   -1.594500      -2.137300      -1.928100    
 H   -3.189900      0.8986000       2.092200    
 H   -4.180800      0.9048000      0.6021000    
 H   -3.409500       2.377000       1.175100    
 H    2.788400       2.201100      4.9500000E-02
 H    2.859400      -1.827100       1.523600    
 H    3.905500      0.4141000       1.334800    
 H    1.041400       2.764800      -1.164900    


%chk=000046546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046546

0 1
O -0.815028 -1.993903 -1.450182
O 0.298815 2.013707 -0.537168
N -2.438918 1.027599 -0.027298
C -2.028260 -0.389653 0.021319
C -0.812454 -0.602796 -0.952214
C 0.567586 -0.386519 -0.337318
C -1.763568 -0.976266 1.432539
C 1.105952 0.912409 -0.151952
C 1.372594 -1.485527 0.047873
C -3.618459 1.407481 0.756988
C 2.393759 1.113420 0.394713
C 2.660929 -1.304463 0.598621
C 3.174893 -0.000187 0.772406
H -2.870731 -0.971306 -0.422012
H -0.962211 0.109151 -1.790584
H -1.442632 -2.031605 1.354925
H -0.970855 -0.412621 1.956901
H -2.680303 -0.942309 2.048487
H -1.646212 1.677998 0.031256
H 0.974020 -2.488655 -0.123634
H -1.677439 -2.153224 -1.908812
H -3.513526 1.305762 1.864512
H -4.485029 0.787009 0.453030
H -3.877451 2.460168 0.541233
H 2.783240 2.132161 0.524586
H 3.260975 -2.175526 0.881786
H 4.173621 0.154816 1.194798
H 0.812092 2.857177 -0.484497


