%chk=000042723.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042723

1 1
 O   -5.105300      -2.112300     -3.0000001E-04
 N   -1.431300       1.954500      9.9999997E-05
 N    4.184600     -0.9993000     -9.9999997E-05
 C  -0.5416000     -8.8500001E-02  3.9999999E-04
 C  -0.2382000       1.270600      1.9999999E-04
 C   0.5210000      -1.016200      3.9999999E-04
 C    1.075500       1.755100     -9.9999997E-05
 C    1.851600     -0.5581000      1.9999999E-04
 C   -1.967700     -0.2089000      1.9999999E-04
 C    2.129200      0.8249000       0.000000    
 C   -2.494300       1.082800      1.9999999E-04
 C    2.924200      -1.451300       0.000000    
 C   0.2415000      -2.491100     -5.0000002E-04
 C    3.463400       1.249200       0.000000    
 C    1.331600       3.230100     -5.0000002E-04
 C   -2.860500      -1.301200      9.9999997E-05
 C   -3.870100       1.339700       0.000000    
 C    4.480000      0.3049000     -9.9999997E-05
 C   -4.239000      -1.060400     -9.9999997E-05
 C   -4.734100      0.2414000       0.000000    
 C    5.279300      -1.966000       0.000000    
 H   -1.526600       2.960100     -9.9999997E-05
 H    2.844600      -2.527700     -2.8899999E-02
 H    1.023600      -3.100700      0.4557000    
 H  -0.6260000      -2.720300      0.6208000    
 H   6.4199999E-02  -2.843700      -1.020900    
 H    3.745200       2.297500     -1.2000001E-03
 H   0.4140000       3.824700     -1.9999999E-04
 H    1.895000       3.520200      0.8929000    
 H    1.894300       3.519900     -0.8945000    
 H   -2.518800      -2.329400     -2.2800000E-02
 H   -4.256100       2.353600     -9.9999997E-05
 H    5.526000      0.5870000     -4.8000002E-03
 H   -5.806700      0.4215000     -1.9999999E-04
 H    5.053700      -2.753100      0.7254000    
 H    5.357700      -2.379700      -1.009000    
 H    6.217600      -1.482100      0.2833000    
 H   -6.016200      -1.771600     -5.0000002E-04


%chk=000042723-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042723

1 1
O -5.119704 -2.184121 0.031866
N -1.426484 1.997628 -0.023349
N 4.249715 -1.026844 0.005547
C -0.534174 -0.125676 0.002402
C -0.228449 1.305101 -0.016193
C 0.491811 -1.082107 0.014279
C 1.081204 1.827707 -0.024405
C 1.850251 -0.578487 0.005048
C -1.995536 -0.243148 0.005388
C 2.129185 0.868685 -0.014294
C -2.515337 1.094673 -0.010633
C 2.955536 -1.459347 0.013960
C 0.145359 -2.556365 0.035995
C 3.513202 1.265380 -0.022609
C 1.355298 3.319486 -0.043622
C -2.895645 -1.332112 0.019326
C -3.892744 1.367798 -0.012454
C 4.537346 0.341007 -0.012874
C -4.283539 -1.062899 0.017569
C -4.780401 0.270882 0.002007
C 5.383954 -1.991513 0.015475
H -1.520673 3.011492 -0.036072
H 2.823224 -2.541245 0.027869
H 1.015187 -3.228936 0.052674
H -0.466154 -2.796098 0.925191
H -0.455686 -2.825636 -0.851990
H 3.780070 2.324075 -0.037349
H 0.429398 3.917064 -0.041662
H 1.938682 3.638795 0.839462
H 1.922727 3.618731 -0.944050
H -2.577141 -2.375314 0.030945
H -4.280579 2.390770 -0.024650
H 5.593561 0.614304 -0.018920
H -5.861859 0.452212 0.001009
H 4.997262 -3.020777 0.032089
H 5.998721 -1.854238 -0.889116
H 6.005214 -1.827748 0.911162
H -6.077504 -1.937078 0.029980


