%chk=000088698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088698

0 1
 O   7.1999999E-03  0.9696000     -3.0000001E-04
 O   -7.487500     -0.2825000     -1.9000000E-03
 O    7.484300     -0.2801000      1.2000001E-03
 N   -1.156100      -1.064200      1.1000000E-03
 N    1.153900      -1.068600     -3.9999999E-04
 C   -2.492700     -0.6645000      1.8000000E-03
 C    2.509000     -0.6618000     -1.5000000E-03
 C   -5.165800      0.1341000     -6.9999998E-04
 C    5.162200      0.1339000      6.0000003E-04
 C   -2.815200      0.6926000      1.6000000E-03
 C    2.811000      0.6900000     -1.1000000E-03
 C   -3.506700      -1.622200      7.9999998E-04
 C    3.505100      -1.624100     -1.0000000E-03
 C   -4.151700       1.091900      3.0000001E-04
 C    4.147100       1.090600       0.000000    
 C   -4.843200      -1.222900     -3.9999999E-04
 C    4.841100      -1.223400      9.9999997E-05
 C   7.8999996E-03 -0.2572000       0.000000    
 C   -6.559300      0.5505000     -5.0000002E-04
 C    6.555200      0.5519000      1.9999999E-04
 C   -6.918600       2.032400      7.9999998E-04
 C    6.913000       2.034200     -8.9999998E-04
 H   -2.089700       1.493400      2.3000001E-03
 H    2.086600       1.490300     -1.4000000E-03
 H   -3.269800      -2.683200      6.9999998E-04
 H    3.265600      -2.683800     -1.0000000E-03
 H   -1.000700      -2.069300      7.9999998E-04
 H    1.000000      -2.073800       0.000000    
 H   -4.359600       2.157400      3.0000001E-04
 H    4.354000       2.156400      9.9999997E-05
 H   -5.615200      -1.987900     -8.9999998E-04
 H    5.614000      -1.987500      3.0000001E-04
 H   -6.534200       2.515500     -0.9011000    
 H   -6.533500       2.514100      0.9033000    
 H   -8.008300       2.136300      1.4000000E-03
 H    6.528200       2.516800      0.9012000    
 H    6.527200       2.515700     -0.9032000    
 H    8.002600       2.139200     -1.6000000E-03


%chk=000088698-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088698

0 1
O -0.002610 1.038794 0.000142
O -7.605923 -0.456227 -0.000667
O 7.604169 -0.455323 0.000153
N -1.167590 -1.013530 0.000461
N 1.165726 -1.012216 -0.000206
C -2.514959 -0.571167 0.000827
C 2.513106 -0.569327 -0.000653
C -5.274966 0.143089 0.001628
C 5.273278 0.144462 -0.001568
C -2.893250 0.799063 0.001067
C 2.891682 0.800872 -0.000688
C -3.524988 -1.577655 0.000976
C 3.522989 -1.575929 -0.001072
C -4.259820 1.136059 0.001428
C 4.258338 1.137607 -0.001114
C -4.879959 -1.223858 0.001335
C 4.878037 -1.222385 -0.001484
C -0.001388 -0.223716 0.000151
C -6.737940 0.468564 0.002125
C 6.736403 0.469641 -0.002124
C -7.166950 1.933081 -0.000403
C 7.165647 1.934071 0.000332
H -2.120385 1.568518 0.000940
H 2.119030 1.570476 -0.000378
H -3.238392 -2.637894 0.000804
H 3.236217 -2.636117 -0.001068
H -1.056722 -2.030204 0.000370
H 1.055716 -2.028977 -0.000169
H -4.531504 2.196921 0.001581
H 4.530218 2.198413 -0.001112
H -5.665180 -1.986911 0.001471
H 5.663136 -1.985559 -0.001823
H -6.778931 2.460241 -0.891977
H -6.781510 2.462431 0.890970
H -8.266035 1.984433 -0.002087
H 6.777929 2.461254 0.892022
H 6.780040 2.463510 -0.890917
H 8.264741 1.985294 0.001728


