%chk=000002952.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002952

0 1
 O   0.2282000     -0.2543000     -3.9999999E-04
 O   -6.099000       2.967100      1.0000000E-03
 O   -6.093500      -1.622100     -1.9999999E-04
 O    7.423400      0.3059000      7.9999998E-04
 O    6.554300       2.326400     -1.1000000E-03
 N   -4.381200     -1.6200000E-02   0.000000    
 N   -6.476200      0.6732000      9.9999997E-05
 N   -3.324600     -0.8538000      1.9999999E-04
 N    6.435100       1.078000      1.9999999E-04
 C   -4.239300       1.407600     -1.9999999E-04
 C    1.242500      -1.154400     -3.9999999E-04
 C    2.567600     -0.5849000      9.9999997E-05
 C  -0.9235000     -0.9752000     -1.9999999E-04
 C   -5.701900       1.810300     -1.9999999E-04
 C   -5.695100     -0.4655000       0.000000    
 C   0.7610000      -2.437900     -3.9999999E-04
 C  -0.6496000      -2.323200     -1.9999999E-04
 C    3.685400      -1.419100      6.9999998E-04
 C    2.731300      0.8004000     -6.0000003E-04
 C   -2.155200     -0.2624000      1.9999999E-04
 C    5.130500      0.5170000      3.0000001E-04
 C    4.966900     -0.8682000      8.9999998E-04
 C    4.012700       1.351300     -6.0000003E-04
 H   -3.767100       1.765700     -0.9187000    
 H   -3.767000       1.766000      0.9181000    
 H    1.335200      -3.353500     -3.9999999E-04
 H   -7.489700      0.6708000      3.9999999E-04
 H   -1.371000      -3.128100     -9.9999997E-05
 H    3.590400      -2.501800      1.2000001E-03
 H    1.885400       1.483200     -1.3000000E-03
 H   -2.016700      0.8313000      1.9999999E-04
 H    5.814400      -1.548900      1.4000000E-03
 H    4.102000       2.434800     -1.2000001E-03


%chk=000002952-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002952

0 1
O 0.264944 -0.126320 0.000020
O -6.718776 2.852071 0.000182
O -5.985300 -1.806802 0.000618
O 7.671039 0.065265 -0.000548
O 6.880951 2.208504 -0.000873
N -4.467631 0.060275 -0.000417
N -6.682759 0.477421 0.000184
N -3.322092 -0.694861 -0.000095
N 6.705246 0.926522 0.000184
C -4.592201 1.536147 -0.000588
C 1.317974 -1.071855 0.000129
C 2.677381 -0.560405 0.000145
C -0.945670 -0.854031 0.000048
C -6.117839 1.756406 -0.000981
C -5.731724 -0.590444 -0.000291
C 0.762006 -2.358625 0.000141
C -0.660872 -2.224130 0.000125
C 3.784039 -1.462274 0.000292
C 2.931350 0.844246 0.000001
C -2.155249 -0.069623 -0.000011
C 5.320146 0.415749 0.000162
C 5.101354 -0.981950 0.000293
C 4.245845 1.334919 0.000001
H -4.140223 1.994792 -0.899922
H -4.140434 1.994928 0.898791
H 1.316974 -3.294605 0.000190
H -7.686824 0.293139 0.001167
H -1.406433 -3.015479 0.000158
H 3.608215 -2.542532 0.000408
H 2.086272 1.537918 -0.000113
H -2.025081 1.025638 -0.000111
H 5.960787 -1.657085 0.000412
H 4.460287 2.406583 -0.000104


