%chk=000046401.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046401

0 1
 O  -0.9684000       1.234500     -1.1600000E-02
 O    4.721100     -0.3501000       2.035200    
 N  -0.5538000     -0.9895000     -0.1499000    
 C    4.403200     -0.2119000     -0.3604000    
 C    2.978500      0.2259000     -0.2653000    
 C    1.961900     -0.7403000     -0.2645000    
 C    4.842100      -1.095500      0.8287000    
 C   0.6339000     -0.2993000     -0.1739000    
 C    4.695100     -0.9445000      -1.684500    
 C    2.682300       1.591800     -0.1785000    
 C   0.3841000       1.062500     -8.9699998E-02
 C    1.363000       2.048500     -8.7600000E-02
 C   -1.455600     -3.7200000E-02 -5.4099999E-02
 C   -2.886900     -0.1445000      1.1400000E-02
 C   -3.674600       1.005900      0.1108000    
 C   -3.500300      -1.400100     -2.2900000E-02
 C   -5.064100      0.9016000      0.1753000    
 C   -4.889800      -1.504400      4.1299999E-02
 C   -5.671700     -0.3535000      0.1403000    
 H    5.042200      0.6821000     -0.3472000    
 H    2.178100      -1.801200     -0.3319000    
 H    5.888100      -1.403000      0.7237000    
 H    4.233200      -2.000000      0.9235000    
 H    5.765400      -1.159300      -1.775600    
 H    4.157600      -1.896400      -1.753500    
 H    4.401900     -0.3298000      -2.542900    
 H    3.482600       2.329000     -0.1799000    
 H    1.123300       3.102200     -1.9900000E-02
 H    5.294900      0.4309000       1.956400    
 H   -3.239900       2.001900      0.1409000    
 H   -2.912000      -2.311500     -9.9500000E-02
 H   -5.673400       1.797300      0.2525000    
 H   -5.363100      -2.481500      1.4300000E-02
 H   -6.753600     -0.4347000      0.1904000    


%chk=000046401-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046401

0 1
O -0.984065 1.378865 0.006347
O 4.833530 -0.357324 2.107787
N -0.590154 -0.903911 -0.182302
C 4.483335 -0.240953 -0.390979
C 3.031783 0.231978 -0.287498
C 1.967399 -0.702717 -0.302596
C 4.913895 -1.086953 0.837218
C 0.650426 -0.216872 -0.197750
C 4.747698 -1.041595 -1.693613
C 2.749588 1.626073 -0.170441
C 0.411088 1.182880 -0.082433
C 1.432855 2.135631 -0.065566
C -1.519948 0.039100 -0.062518
C -2.970537 -0.103792 0.008336
C -3.816054 1.031946 0.134696
C -3.540774 -1.405853 -0.049148
C -5.214066 0.863031 0.202071
C -4.938321 -1.564884 0.019157
C -5.780084 -0.432701 0.144798
H 5.132599 0.660628 -0.414399
H 2.146284 -1.779085 -0.387083
H 5.942277 -1.475573 0.668142
H 4.234783 -1.946105 0.971333
H 5.815526 -1.317196 -1.779622
H 4.154982 -1.974468 -1.717747
H 4.471777 -0.447234 -2.581987
H 3.588402 2.332117 -0.160228
H 1.232770 3.206092 0.026278
H 5.387553 0.461427 2.043969
H -3.371462 2.030726 0.179658
H -2.874006 -2.268642 -0.145345
H -5.863047 1.740069 0.299645
H -5.373718 -2.569024 -0.024774
H -6.867013 -0.559780 0.197993


