%chk=000018700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018700

0 1
 O  -0.9471000       3.057100      0.6653000    
 N    2.620500      0.3169000     -6.2399998E-02
 N   -1.039600      0.7289000      0.5317000    
 C    1.209800      0.4506000     -0.4245000    
 C    3.450600      0.1850000      -1.268000    
 C    2.812700     -0.8250000      0.8426000    
 C    4.934600      9.3400002E-02 -0.9091000    
 C    4.275800     -0.9497000       1.270400    
 C    5.200400      -1.050700      6.2300000E-02
 C   0.3753000      0.5693000      0.8550000    
 C    1.049800       1.668700      -1.334300    
 C   -1.821800     -0.4375000      0.2407000    
 C   -1.589500       2.017100      0.5052000    
 C   -3.096600       2.081700      0.3755000    
 C   -3.108500     -0.2874000     -0.3067000    
 C   -3.623100       1.083400     -0.6336000    
 C   -1.333500      -1.735700      0.4599000    
 C   -3.876700      -1.415900     -0.6281000    
 C   -2.111400      -2.854600      0.1506000    
 C   -3.381700      -2.695400     -0.3924000    
 H   0.8789000     -0.4319000     -0.9889000    
 H    3.381900       1.061900      -1.917000    
 H    3.156800     -0.6936000      -1.857100    
 H    2.479000      -1.761600      0.3774000    
 H    2.281000     -0.7091000       1.788800    
 H    5.263800       1.038600     -0.4584000    
 H    5.528400     -5.0500002E-02  -1.819000    
 H    4.403000      -1.833600       1.905900    
 H    4.559400     -7.8000002E-02   1.874300    
 H    5.034800      -2.008500     -0.4461000    
 H    6.246700      -1.034200      0.3865000    
 H   0.4522000     -0.2449000       1.573500    
 H   0.7045000       1.459200       1.409600    
 H    1.474600       2.574200     -0.8866000    
 H    1.494800       1.523300      -2.323300    
 H  -1.9000000E-03   1.868800      -1.558500    
 H   -3.522000       1.894900       1.369400    
 H   -3.382900       3.095300      7.3799998E-02
 H   -3.291900       1.348800      -1.644900    
 H   -4.718800       1.101600     -0.6207000    
 H  -0.3480000      -1.934600      0.8663000    
 H   -4.863200      -1.301400      -1.070100    
 H   -1.719200      -3.852000      0.3285000    
 H   -3.981700      -3.565900     -0.6400000    


%chk=000018700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018700

0 1
O -1.060417 3.197517 0.733348
N 2.608145 0.176911 -0.132716
N -1.088563 0.868415 0.480232
C 1.193900 0.430108 -0.565004
C 3.655903 0.407706 -1.163179
C 2.765117 -1.180190 0.459066
C 5.067088 0.292065 -0.547826
C 4.144076 -1.356353 1.126363
C 5.276907 -1.088785 0.111173
C 0.379891 0.823298 0.706103
C 1.054007 1.543605 -1.620954
C -1.835538 -0.344062 0.292938
C -1.717540 2.131673 0.541452
C -3.237174 2.128851 0.392839
C -3.151023 -0.280703 -0.258825
C -3.706484 1.079909 -0.634490
C -1.283399 -1.608326 0.626309
C -3.881671 -1.472313 -0.444096
C -2.028585 -2.790092 0.426581
C -3.333648 -2.731552 -0.108547
H 0.758082 -0.505294 -0.999233
H 3.529498 1.416250 -1.587737
H 3.567331 -0.327542 -2.007751
H 2.633860 -1.970751 -0.328206
H 1.973844 -1.343000 1.213408
H 5.184734 1.087018 0.213936
H 5.822558 0.468596 -1.337933
H 4.222564 -2.380057 1.541292
H 4.225571 -0.643629 1.969550
H 5.264132 -1.876727 -0.670614
H 6.265076 -1.139896 0.606172
H 0.602952 0.142410 1.545507
H 0.683150 1.836857 1.012516
H 1.510315 2.486467 -1.270438
H 1.504883 1.260436 -2.587390
H -0.017720 1.740325 -1.797944
H -3.680173 1.908168 1.384956
H -3.537141 3.151938 0.114626
H -3.345056 1.371865 -1.642879
H -4.809188 1.051320 -0.685736
H -0.277362 -1.683295 1.046355
H -4.893896 -1.409613 -0.862127
H -1.584636 -3.755372 0.693867
H -3.914173 -3.647153 -0.261464


