%chk=000076497.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076497

0 1
 O    2.786600       3.277100     -9.6400000E-02
 O    2.783600      -3.278700      0.1099000    
 N    1.129400     -3.9999999E-04 -8.2000000E-03
 C    1.864900       1.140700      0.4994000    
 C    1.861500      -1.148000     -0.5059000    
 C  -0.2811000      3.0000001E-04 -5.1000002E-03
 C    2.095900       2.147300     -0.6147000    
 C    2.096300      -2.142300      0.6184000    
 C  -0.9771000       1.103800      0.4884000    
 C  -0.9800000      -1.103000     -0.4949000    
 C   -3.070900      6.9999998E-04  2.2000000E-03
 C   -2.372000       1.104000      0.4922000    
 C   -2.374900      -1.102800     -0.4913000    
 C   -4.562200      1.2000001E-03  6.0000001E-03
 H    2.848700      0.8086000      0.8602000    
 H    1.425600       1.597500       1.393300    
 H    2.844000     -0.8198000     -0.8737000    
 H    1.419600      -1.614400      -1.393500    
 H    1.153600       2.502000      -1.043000    
 H    2.690300       1.719700      -1.429100    
 H    1.155100      -2.491100       1.054000    
 H    2.694500      -1.706800       1.425900    
 H  -0.4960000       1.998500      0.8669000    
 H  -0.5017000      -1.997700     -0.8767000    
 H   -2.903900       1.971400      0.8741000    
 H   -2.909100      -1.968700     -0.8738000    
 H   -4.957500      -1.013800      0.1212000    
 H   -4.955100      0.5940000      0.8391000    
 H   -4.940000      0.4204000     -0.9317000    
 H    3.637700       2.964400      0.2550000    
 H    3.633500      -2.970900     -0.2487000    


%chk=000076497-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076497

0 1
O 2.783907 3.449925 -0.028472
O 2.788935 -3.450736 0.019681
N 1.172928 -0.001508 0.000052
C 1.934537 1.156686 0.489703
C 1.931470 -1.159672 -0.494353
C -0.240860 -0.001674 0.004523
C 2.111678 2.264539 -0.581309
C 2.119725 -2.265623 0.576740
C -0.985346 1.138605 0.437175
C -0.987637 -1.143866 -0.418983
C -3.138348 -0.002645 0.014871
C -2.394444 1.124837 0.443317
C -2.396783 -1.132097 -0.412259
C -4.657371 0.008029 -0.008663
H 2.934167 0.809179 0.819401
H 1.452718 1.599275 1.381327
H 2.927688 -0.811735 -0.833925
H 1.441750 -1.604146 -1.380671
H 1.129843 2.631351 -0.918741
H 2.654540 1.861064 -1.462537
H 1.141495 -2.633491 0.923406
H 2.669736 -1.860060 1.452564
H -0.473802 2.046344 0.770927
H -0.477930 -2.055181 -0.745643
H -2.926637 2.021099 0.786869
H -2.930749 -2.032099 -0.742931
H -5.071415 -1.005499 0.140006
H -5.070005 0.660378 0.781888
H -5.046320 0.381496 -0.976757
H 3.719670 3.220631 0.201394
H 3.722159 -3.220206 -0.219102


