%chk=000022769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022769

0 1
 O    2.633600      0.1128000      0.2128000    
 O    1.898400      -1.865000     -0.7074000    
 O   -3.831900      -1.105000      0.3263000    
 N   -1.264500       1.393700     -0.1376000    
 C  -0.8980000     -0.7921000      3.4000000E-03
 C   0.3450000     -0.1361000     -0.1758000    
 C   8.8799998E-02   1.214600     -0.2594000    
 C   -1.875900      0.1778000      2.3399999E-02
 C   -1.105500      -2.249100      0.1421000    
 C   0.9926000       2.366800     -0.4438000    
 C    1.651300     -0.7256000     -0.2601000    
 C   -3.288400      2.2500001E-02  0.1795000    
 C   -4.225800       1.241100      0.1752000    
 C    3.983600     -0.3628000      0.1801000    
 C    4.896600      0.7064000      0.7413000    
 H   -1.734900       2.288200     -0.1621000    
 H   -1.754300      -2.473100      0.9952000    
 H   -1.568400      -2.657300     -0.7623000    
 H  -0.1733000      -2.792500      0.3164000    
 H    1.707200       2.181000      -1.252200    
 H   0.4382000       3.274900     -0.7047000    
 H    1.549700       2.572500      0.4758000    
 H   -4.143400       1.763600     -0.7814000    
 H   -3.962300       1.909400      0.9990000    
 H   -5.259600      0.9093000      0.3075000    
 H    4.061900      -1.273900      0.7831000    
 H    4.264000     -0.5864000     -0.8549000    
 H    5.939000      0.3761000      0.7302000    
 H    4.811500       1.629700      0.1588000    
 H    4.614100      0.9529000       1.770100    


%chk=000022769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022769

0 1
O 2.698532 0.170338 0.136104
O 1.900653 -2.018187 0.174909
O -3.967968 -1.154710 -0.038097
N -1.302515 1.388901 -0.021829
C -0.932129 -0.856229 0.051476
C 0.332403 -0.152213 0.069479
C 0.065449 1.248842 0.022012
C -1.948288 0.129152 -0.005744
C -1.161641 -2.342435 0.084747
C 0.966520 2.449031 0.013985
C 1.657610 -0.783633 0.130408
C -3.403687 -0.013629 -0.035774
C -4.244960 1.270069 -0.062735
C 4.078676 -0.394447 0.198282
C 5.041389 0.789609 0.214645
H -1.784782 2.285961 -0.061674
H -1.948273 -2.596521 0.815599
H -1.541190 -2.697273 -0.892356
H -0.228990 -2.877079 0.314411
H 1.661072 2.415271 -0.842586
H 0.381978 3.385786 -0.037367
H 1.599400 2.473894 0.917520
H -4.033633 1.873184 -0.967431
H -4.053805 1.899261 0.828263
H -5.309378 0.990971 -0.071927
H 4.161843 -1.019242 1.106006
H 4.229420 -1.049126 -0.679302
H 6.083346 0.423490 0.260285
H 4.930207 1.402713 -0.696473
H 4.862041 1.432650 1.093663


