%chk=000051334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051334

0 1
 O    1.832000     -0.7460000      4.1999999E-03
 O  -0.2236000       2.753600     -3.8000001E-03
 N    3.844000      0.4024000      7.6000001E-03
 C  -0.3579000      0.3576000      1.1000000E-03
 C   -1.784700      0.2208000     -1.9999999E-04
 C   0.4598000     -0.7806000      2.4999999E-03
 C   -2.325100      -1.095700     -1.0000000E-03
 C   0.3438000       1.670600      5.0000002E-04
 C  -9.7099997E-02  -2.055800      2.4999999E-03
 C   -1.477100      -2.209700      3.0000001E-04
 C    2.480300      0.4756000      5.1000002E-03
 C   -2.727200       1.283500     -3.9999999E-04
 C    1.819300       1.640400      3.5000001E-03
 C   -3.715000      -1.303200     -2.9000000E-03
 C   -4.107900       1.060800     -2.0000001E-03
 C   -4.602200     -0.2328000     -3.5999999E-03
 C    4.569300     -0.8405000      9.3999999E-03
 C    6.069300     -0.6010000     -2.2900000E-02
 H   0.5396000      -2.936700      3.5999999E-03
 H   -1.885400      -3.218900     -9.9999997E-05
 H   -2.417200       2.322500      8.9999998E-04
 H    2.338800       2.593100      3.8999999E-03
 H   -4.123600      -2.312500     -3.8000001E-03
 H    4.359500       1.276900      1.0900000E-02
 H   -4.791800       1.904800     -2.2000000E-03
 H    4.322500      -1.419000      0.9074000    
 H    4.290800      -1.441700     -0.8642000    
 H   -5.673200     -0.4105000     -4.9999999E-03
 H    6.357700     -4.3400001E-02 -0.9203000    
 H    6.392400     -2.2200000E-02  0.8489000    
 H    6.608900      -1.553000     -2.2000000E-02


%chk=000051334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051334

0 1
O 1.856327 -0.711778 0.002929
O -0.320709 2.861957 0.001687
N 3.859364 0.402026 0.004461
C -0.361819 0.401262 0.000609
C -1.804484 0.211199 -0.000406
C 0.440289 -0.756655 0.001412
C -2.344632 -1.137229 -0.000477
C 0.314980 1.746035 0.000737
C -0.076992 -2.082897 0.001320
C -1.453574 -2.263409 0.000407
C 2.491018 0.529404 0.003493
C -2.731318 1.308346 -0.001430
C 1.766564 1.710626 0.002778
C -3.762533 -1.337294 -0.001424
C -4.111573 1.077612 -0.002353
C -4.637936 -0.249531 -0.002328
C 4.585094 -0.883355 0.007315
C 6.101229 -0.630672 -0.020933
H 0.624941 -2.921332 0.002158
H -1.876739 -3.274502 0.000400
H -2.320372 2.320644 -0.001467
H 2.287082 2.672144 0.003205
H -4.147806 -2.364116 -0.001434
H 4.401501 1.265420 0.009798
H -4.799145 1.930975 -0.003106
H 4.310353 -1.466710 0.907511
H 4.279894 -1.484989 -0.870219
H -5.721720 -0.409685 -0.003048
H 6.398666 -0.077733 -0.930810
H 6.428780 -0.055308 0.864579
H 6.644271 -1.591054 -0.017466


