%chk=000048664.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048664

1 1
 O  -0.3602000      -1.432800      0.8173000    
 O  -4.3499999E-02  -1.722000      -1.456600    
 N   -4.658200      0.5786000     -0.1335000    
 N   0.9025000       1.065000      0.6428000    
 N   0.9004000      -3.254600      1.6500000E-02
 N    1.499000      0.9360000     -0.4515000    
 C   -3.147800      0.7068000      7.8699999E-02
 C   -4.999900       1.069900      -1.537300    
 C   -5.375200       1.413800      0.9236000    
 C   -5.139000     -0.8653000     -4.4999998E-03
 C   -2.467900     -0.4331000      0.3495000    
 C   -2.617900       1.949300     -2.3000000E-02
 C   -1.091200     -0.3162000      0.5421000    
 C   -1.241500       2.066200      0.1695000    
 C  -0.4781000      0.9335000      0.4518000    
 C   0.1565000      -2.114600     -0.3076000    
 C    2.885100       1.068300     -0.2603000    
 C    1.497500      -4.062600      -1.037200    
 C    1.134800      -3.709700       1.383000    
 C    3.653400     -5.7100002E-02  2.1600001E-02
 C    3.478800       2.323200     -0.3537000    
 C    5.028900      7.3799998E-02  0.2122000    
 C    4.854300       2.454100     -0.1633000    
 C    5.629300       1.329300      0.1198000    
 H   -4.408200      0.5010000      -2.261700    
 H   -6.067700      0.8973000      -1.706800    
 H   -4.796500       2.141000      -1.618600    
 H   -5.156000       2.474500      0.7732000    
 H   -6.452200       1.253200      0.8103000    
 H   -5.047900       1.081800       1.914200    
 H   -4.947300      -1.228400       1.010600    
 H   -6.222200     -0.8715000     -0.1720000    
 H   -4.668600      -1.480600     -0.7786000    
 H   -2.884800      -1.427000      0.4333000    
 H   -3.188700       2.843800     -0.2400000    
 H  -0.7731000       3.044700      9.8200001E-02
 H    1.276200      -3.660700      -2.029100    
 H    1.101300      -5.079800     -0.9686000    
 H    2.581800      -4.080500     -0.8947000    
 H   0.6590000      -3.062200       2.122000    
 H    2.213100      -3.722500       1.566300    
 H   0.7339000      -4.721900       1.488300    
 H    3.194800      -1.039300      9.4899997E-02
 H    2.882400       3.204400     -0.5744000    
 H    5.632400     -0.8020000      0.4324000    
 H    5.322000       3.431600     -0.2353000    
 H    6.700400       1.431300      0.2680000    


%chk=000048664-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048664

1 1
O -0.167793 -1.721297 0.016301
O -1.890063 -3.360232 -0.185732
N -4.603144 0.612264 -0.304421
N 1.171374 0.608563 0.064191
N 0.378628 -3.945198 0.012534
N 1.717714 1.765807 0.355444
C -3.075611 0.615127 -0.185951
C -5.015451 1.336706 -1.593725
C -5.211745 1.327575 0.910028
C -5.190214 -0.799714 -0.355356
C -2.379800 -0.602587 -0.149055
C -2.408933 1.860736 -0.122519
C -0.964712 -0.580488 -0.047566
C -1.008941 1.868011 -0.021097
C -0.257420 0.662275 0.015412
C -0.667424 -3.073534 -0.064929
C 3.140785 1.787936 0.351341
C 0.094011 -5.393889 -0.039373
C 1.796768 -3.552360 0.147341
C 3.974347 0.693331 -0.026834
C 3.719690 3.023989 0.753344
C 5.370198 0.847575 0.005503
C 5.121047 3.167072 0.786182
C 5.947430 2.080526 0.412778
H -4.553610 0.817884 -2.446370
H -6.113355 1.317119 -1.678240
H -4.659592 2.375137 -1.559063
H -4.841576 2.360665 0.949495
H -6.308675 1.323869 0.812297
H -4.903815 0.791620 1.819660
H -4.925610 -1.344059 0.562104
H -6.284279 -0.706912 -0.430993
H -4.799848 -1.330712 -1.234949
H -2.852726 -1.583375 -0.195254
H -2.943759 2.815521 -0.154374
H -0.452999 2.808700 0.029111
H -0.989135 -5.551104 -0.141043
H 0.448922 -5.881930 0.886500
H 0.611735 -5.850114 -0.902610
H 1.888669 -2.458897 0.158352
H 2.376029 -3.962783 -0.700341
H 2.210012 -3.963697 1.086755
H 3.508326 -0.244656 -0.342950
H 3.052642 3.845168 1.034819
H 6.020289 0.016186 -0.286895
H 5.568847 4.115844 1.097729
H 7.036970 2.190327 0.434218


