%chk=000085139.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085139

0 1
 O   -2.381600     -0.2786000      1.9999999E-04
 O    2.381500     -0.2787000      9.9999997E-05
 O   -1.097700      -2.404300     -6.0000003E-04
 O    1.097600      -2.404400      9.9999997E-05
 N   -1.204800       1.707200       0.000000    
 N    1.205000       1.707200     -1.9999999E-04
 N  -9.9999997E-05  -1.795500      9.9999997E-05
 C  -9.9999997E-05 -0.3764000      5.0000002E-04
 C   -1.167900      0.3585000      1.9999999E-04
 C    1.167900      0.3586000      9.9999997E-05
 C   9.9999997E-05   2.308600     -9.9999997E-05
 C   -3.538500      0.5490000     -1.9999999E-04
 C    3.538500      0.5487000     -3.0000001E-04
 H   9.9999997E-05   3.391700     -1.9999999E-04
 H   -3.579800       1.168600      0.9019000    
 H   -4.417200     -0.1028000     -9.9999997E-05
 H   -3.579500       1.168000     -0.9027000    
 H    4.417200     -0.1031000     -3.9999999E-04
 H    3.580000       1.168400      0.9019000    
 H    3.579600       1.167900     -0.9028000    


%chk=000085139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085139

0 1
O -2.429262 -0.269467 -0.000035
O 2.429236 -0.269618 -0.000148
O -1.136574 -2.512253 -0.002861
O 1.136488 -2.512274 0.003184
N -1.207892 1.718281 -0.000382
N 1.207988 1.718213 -0.000112
N -0.000036 -1.897589 -0.000209
C -0.000012 -0.419930 -0.000186
C -1.216925 0.349436 -0.000293
C 1.216940 0.349368 -0.000060
C 0.000065 2.329890 -0.000294
C -3.641344 0.594242 0.000156
C 3.641380 0.594003 -0.000341
H 0.000096 3.423885 -0.000370
H -3.658540 1.230554 0.899184
H -4.467407 -0.129441 0.000323
H -3.658847 1.230481 -0.898915
H 4.467393 -0.129738 -0.000392
H 3.658874 1.230323 0.898676
H 3.658678 1.230234 -0.899426


