%chk=000008662.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008662

2 1
 O   7.1999999E-03   1.283100     -3.0000001E-04
 N   -6.458600      0.8328000     -6.0000003E-04
 N    6.455000      0.8336000      3.0000001E-04
 N   -1.155900     -0.7508000      7.9999998E-04
 N    1.153700     -0.7552000       0.000000    
 C   -5.166000      0.4558000       0.000000    
 C    5.162700      0.4553000       0.000000    
 C   -4.854700     -0.9220000      3.0000001E-04
 C    4.852800     -0.9228000     -3.0000001E-04
 C   -2.492800     -0.3509000      1.1000000E-03
 C    2.508900     -0.3484000     -6.0000003E-04
 C   -3.506100      -1.311700      7.9999998E-04
 C    3.504600      -1.313800     -6.0000003E-04
 C   -4.145900       1.412200      1.9999999E-04
 C    4.141600       1.410700       0.000000    
 C   -2.812000       1.006600      7.9999998E-04
 C    2.808200       1.003800     -3.0000001E-04
 C   -5.908000      -1.846500      9.9999997E-05
 C    5.907000      -1.846200     -3.9999999E-04
 C   -7.473800     -4.1299999E-02 -7.9999998E-04
 C    7.470900     -3.9500002E-02  1.9999999E-04
 C   -7.226400      -1.404000     -5.0000002E-04
 C    7.224900      -1.402400     -9.9999997E-05
 C   -6.834700       2.252200     -3.9999999E-04
 C    6.829600       2.253300      9.9999997E-05
 C   7.8999996E-03  5.6200001E-02  9.9999997E-05
 H   -3.248900      -2.369600      8.9999998E-04
 H    3.245000      -2.370500     -6.9999998E-04
 H   -4.341400       2.479700     -9.9999997E-05
 H    4.336200       2.478400      3.9999999E-04
 H   -2.084400       1.805500      8.9999998E-04
 H    2.081800       1.802400       0.000000    
 H   -5.708200      -2.915500      3.9999999E-04
 H    5.708200      -2.915400     -6.9999998E-04
 H   -8.486300      0.3458000     -1.2000001E-03
 H    8.483100      0.3485000      3.9999999E-04
 H   -8.046400      -2.114100     -6.9999998E-04
 H    8.045600      -2.111800     -1.9999999E-04
 H   -1.000300      -1.755800      8.9999998E-04
 H   0.9996000      -1.760300      1.9999999E-04
 H   -6.437100       2.717200     -0.9070000    
 H   -7.921800       2.371500     -6.0000003E-04
 H   -6.437500       2.716900      0.9065000    
 H    7.916500       2.373700      1.9999999E-04
 H    6.431600       2.717600     -0.9066000    
 H    6.431600       2.717800      0.9068000    


%chk=000008662-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008662

2 1
O -0.000901 1.229441 -0.000196
N -6.596720 0.866985 -0.000156
N 6.595115 0.868039 0.000097
N -1.173394 -0.817181 0.000083
N 1.171826 -0.816671 0.000101
C -5.242286 0.490416 -0.000084
C 5.240605 0.491211 0.000076
C -4.911843 -0.919735 -0.000047
C 4.910587 -0.919013 0.000022
C -2.510738 -0.357018 0.000034
C 2.509689 -0.356267 0.000049
C -3.543040 -1.312550 0.000007
C 3.541715 -1.312071 0.000004
C -4.189016 1.448830 -0.000058
C 4.187425 1.449624 0.000111
C -2.854869 1.041433 0.000007
C 2.853229 1.042002 0.000101
C -5.974394 -1.878793 -0.000076
C 5.973241 -1.877914 -0.000022
C -7.590985 -0.067318 -0.000195
C 7.589451 -0.066117 0.000065
C -7.304994 -1.450672 -0.000163
C 7.303766 -1.449561 0.000011
C -6.960424 2.317147 -0.000111
C 6.958631 2.318281 0.000074
C -0.000399 -0.028994 -0.000055
H -3.313774 -2.385114 0.000027
H 3.312597 -2.384640 -0.000044
H -4.400813 2.520226 -0.000087
H 4.399243 2.521004 0.000163
H -2.055268 1.784000 0.000028
H 2.053580 1.784552 0.000118
H -5.740879 -2.948454 -0.000026
H 5.739905 -2.947615 -0.000081
H -8.617162 0.306187 -0.000254
H 8.615599 0.307487 0.000090
H -8.136095 -2.158545 -0.000198
H 8.135021 -2.157247 -0.000016
H -1.068473 -1.835085 0.000207
H 1.067716 -1.834645 0.000183
H -6.559557 2.806187 -0.902405
H -8.054827 2.414208 -0.000081
H -6.559512 2.806136 0.902190
H 8.053024 2.415476 0.000048
H 6.557674 2.807214 -0.902237
H 6.557723 2.807236 0.902395


