%chk=000078637.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078637

0 1
 O    3.844400     -0.4294000      0.7468000    
 O   -1.763900      -2.665200     -2.7999999E-03
 O   0.3733000      -2.185800     -0.1488000    
 N    1.231700      0.1495000     -0.1680000    
 N  -0.8262000      -1.835400     -5.5799998E-02
 C  -0.1286000      0.5181000     -6.3900001E-02
 C    2.290600       1.106700     -0.2266000    
 C   -1.134600     -0.4467000     -8.9999996E-03
 C  -0.4581000       1.872700     -1.5699999E-02
 C    3.634300      0.4122000     -0.3796000    
 C   -2.470000     -5.6800000E-02  9.3999997E-02
 C   -1.793500       2.262400      8.7200001E-02
 C   -2.799400       1.297700      0.1421000    
 H    2.308200       1.697300      0.6975000    
 H    2.159300       1.784300      -1.078200    
 H    1.473900     -0.8318000     -0.1778000    
 H   0.2881000       2.660300     -5.3199999E-02
 H    4.443600       1.147500     -0.4242000    
 H    3.660100     -0.2045000      -1.284100    
 H   -3.283200     -0.7767000      0.1396000    
 H   -2.050700       3.316900      0.1253000    
 H   -3.839000       1.601800      0.2224000    
 H    4.709000     -0.8574000      0.6253000    


%chk=000078637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078637

0 1
O 3.867788 -0.590646 0.542485
O -1.812874 -2.713474 0.064932
O 0.420537 -2.265341 0.118057
N 1.264880 0.217556 -0.037489
N -0.832294 -1.868364 0.074485
C -0.065606 0.551849 -0.006548
C 2.368961 1.177793 -0.071230
C -1.119280 -0.441951 0.037826
C -0.488191 1.926549 -0.027780
C 3.658404 0.454980 -0.469210
C -2.489377 -0.065906 0.042927
C -1.842310 2.277618 -0.021179
C -2.860153 1.282527 0.011046
H 2.511261 1.659979 0.918865
H 2.172544 1.976657 -0.812876
H 1.488293 -0.780685 0.108882
H 0.269119 2.714977 -0.034127
H 4.497059 1.181287 -0.478769
H 3.544575 0.014767 -1.482043
H -3.232836 -0.866773 0.073298
H -2.118784 3.338003 -0.034370
H -3.916321 1.566536 0.017425
H 4.583906 -1.210236 0.257895


