%chk=000040019.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040019

0 1
 O    1.158700      -2.353100      9.9999997E-05
 O   -1.589800       2.228900     -3.0000001E-04
 O    3.796200      -1.594000       1.097100    
 O    3.796500      -1.592900      -1.098200    
 O   -4.251300       1.453100       1.096500    
 O   -4.252200       1.450200      -1.098700    
 N    3.452500      -1.100800     -3.0000001E-04
 N   -3.898000      0.9626000     -6.9999998E-04
 C    1.235800      1.9700000E-02  1.9999999E-04
 C   0.4971000       1.204800      5.0000002E-04
 C   -1.663700     -0.1420000      3.0000001E-04
 C  -0.9249000      -1.327200      9.9999997E-05
 C   0.5518000      -1.289600       0.000000    
 C  -0.9795000       1.167300      3.9999999E-04
 C    2.635000      6.9200002E-02  1.9999999E-04
 C    3.289100       1.301400      3.0000001E-04
 C    1.157600       2.439300      7.9999998E-04
 C   -3.062800     -0.1914000      6.0000003E-04
 C    2.552000       2.484000      6.0000003E-04
 C   -1.585300      -2.561600      1.9999999E-04
 C   -3.717000      -1.423700      7.9999998E-04
 C   -2.979800      -2.606100      3.9999999E-04
 C    4.782000       1.401800     -1.0000000E-03
 H   0.6081000       3.376800      1.1000000E-03
 H    3.046100       3.452100      5.0000002E-04
 H   -1.036400      -3.499400       0.000000    
 H   -4.803200      -1.481700      7.9999998E-04
 H   -3.491400      -3.564300      3.9999999E-04
 H    5.203100      0.9284000      0.8920000    
 H    5.201100      0.9322000     -0.8971000    
 H    5.119600       2.444300      8.9999998E-04


%chk=000040019-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040019

0 1
O 1.198194 -2.408718 -0.000662
O -1.656082 2.298754 -0.000158
O 3.903671 -1.568695 1.143862
O 3.904551 -1.568392 -1.143536
O -4.380291 1.438238 1.145243
O -4.381514 1.437861 -1.143834
N 3.517150 -1.128700 0.000073
N -3.993296 1.002337 0.000570
C 1.244583 0.000377 -0.000136
C 0.492259 1.212225 -0.000177
C -1.698554 -0.108758 0.000064
C -0.950899 -1.323653 -0.000053
C 0.547787 -1.319508 -0.000214
C -1.001780 1.211247 -0.000234
C 2.657782 0.094491 -0.000112
C 3.353371 1.330718 -0.000219
C 1.160907 2.458222 -0.000225
C -3.112662 -0.205063 0.000304
C 2.565727 2.511373 -0.000261
C -1.610896 -2.575550 -0.000005
C -3.778068 -1.445109 0.000317
C -3.017900 -2.636200 0.000157
C 4.865259 1.391137 -0.000458
H 0.554543 3.368714 -0.000271
H 3.075172 3.480441 -0.000323
H -0.997482 -3.481253 -0.000105
H -4.871810 -1.476795 0.000445
H -3.529451 -3.603158 0.000182
H 5.285022 0.882372 0.886892
H 5.284474 0.885266 -0.889736
H 5.217232 2.434079 0.001112


