%chk=000076810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076810

0 1
 O   -2.914500      0.1416000       0.000000    
 O    2.889300      0.2205000      1.9999999E-04
 O   -1.278100       1.760500      7.9999998E-04
 O    1.184900       1.767600     -1.2000001E-03
 N   -1.049600      -1.865400      6.0000003E-04
 N    1.171200      -1.850500     -8.9999998E-04
 C  -0.6842000     -0.5487000      5.0000002E-04
 C   0.6908000     -0.5649000      9.9999997E-05
 C   9.7599998E-02  -2.609100     -9.9999997E-05
 C   -1.596800      0.5474000      8.9999998E-04
 C    1.559100      0.5743000     -7.9999998E-04
 C   -3.928100       1.152600     -8.9999998E-04
 C    3.858600       1.274200      7.9999998E-04
 H   -1.994500      -2.226400      1.0000000E-03
 H   8.1400000E-02  -3.689500     -3.9999999E-04
 H   -3.843200       1.768600     -0.9007000    
 H   -3.844000       1.769300      0.8986000    
 H   -4.903100      0.6585000     -1.2000001E-03
 H    4.853800      0.8221000      1.5000000E-03
 H    3.747500       1.886500      0.9003000    
 H    3.748700       1.886300     -0.8992000    


%chk=000076810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076810

0 1
O -2.972428 0.058220 -0.000741
O 3.031545 0.161437 0.001644
O -1.522548 1.899146 0.000404
O 1.434070 1.859730 -0.003007
N -1.095205 -1.745745 -0.000358
N 1.158130 -1.825071 0.000002
C -0.673011 -0.410613 -0.000604
C 0.745561 -0.482791 -0.000379
C 0.024099 -2.554530 -0.000119
C -1.684184 0.664749 -0.000641
C 1.719118 0.639257 -0.000814
C -4.108511 1.007115 -0.000069
C 4.070472 1.215832 0.001237
H -2.082507 -2.008782 -0.000440
H -0.020922 -3.640902 0.000051
H -4.071337 1.647009 -0.897824
H -4.070810 1.646422 0.898081
H -5.007932 0.375388 -0.000018
H 5.021898 0.666295 0.003421
H 3.974469 1.853188 0.897230
H 3.976831 1.850146 -0.897158


