%chk=000127036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127036

0 1
 O   -4.921700     -0.5131000     -9.8999999E-03
 N   0.8935000       2.093000     -2.9500000E-02
 N    4.258300      -2.357800     -2.0700000E-02
 N   -3.556700      -2.337700      5.1500000E-02
 C    3.465400      -1.173000     -0.3459000    
 C    1.985600      -1.392200      5.6200001E-02
 C    1.224300     -0.1098000      1.1300000E-02
 C    4.067300      7.1800001E-02  0.3489000    
 C    1.849900       1.119200     -4.9999999E-03
 C    3.315400       1.363900     -2.7300000E-02
 C  -0.1791000      0.1275000      4.3000001E-03
 C  -0.3582000       1.515100     -2.2900000E-02
 C   -1.319200     -0.7013000      2.0600000E-02
 C   -1.624400       2.111400     -3.7999999E-02
 C   -2.590800     -0.1170000      6.6000000E-03
 C   -2.738700       1.267900     -2.2700001E-02
 C   -3.770900     -0.9678000      2.2399999E-02
 H    3.515000      -1.020400      -1.431900    
 H    1.924000      -1.789800       1.077800    
 H    1.526100      -2.132100     -0.6102000    
 H    5.125800      0.1890000      8.5500002E-02
 H    4.024900     -6.3000001E-02   1.438600    
 H    3.610200       1.676000      -1.036300    
 H    3.590700       2.167700      0.6640000    
 H    1.071400       3.087800     -5.1800001E-02
 H    4.245600      -2.515200      0.9865000    
 H    5.234000      -2.195300     -0.2671000    
 H   -1.136000      -1.766900      4.2599998E-02
 H   -1.741200       3.189700     -5.9500001E-02
 H   -3.725800       1.724800     -3.3599999E-02
 H   -2.662100      -2.808500      7.4800000E-02
 H   -4.357900      -2.961500      5.4200001E-02


%chk=000127036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127036

0 1
O -5.003740 -0.457356 -0.014357
N 0.890107 2.158425 -0.048504
N 4.307642 -2.381776 -0.059363
N -3.724873 -2.375575 0.076718
C 3.540880 -1.144924 -0.319956
C 2.057770 -1.382175 0.070085
C 1.273630 -0.093057 0.027321
C 4.104595 0.120649 0.399349
C 1.883275 1.159010 -0.010282
C 3.363366 1.420376 -0.021356
C -0.160123 0.129054 0.012986
C -0.370523 1.556425 -0.035651
C -1.284847 -0.729388 0.031538
C -1.663409 2.122639 -0.061560
C -2.586988 -0.173979 0.004465
C -2.760001 1.245671 -0.041104
C -3.849717 -0.993812 0.019180
H 3.580712 -0.957441 -1.412430
H 2.024849 -1.824371 1.090582
H 1.632613 -2.144804 -0.608849
H 5.184319 0.218243 0.174370
H 4.007333 -0.024096 1.494566
H 3.695699 1.728043 -1.035305
H 3.632383 2.251493 0.661591
H 1.067333 3.160196 -0.079250
H 4.267299 -2.683121 0.921396
H 5.273083 -2.355869 -0.404803
H -1.118947 -1.813007 0.064566
H -1.815507 3.206884 -0.097668
H -3.788885 1.618236 -0.060633
H -2.830211 -2.856293 0.109834
H -4.584415 -2.921899 0.086024


