%chk=000096482.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096482

0 1
 O    2.561300       2.853200     -0.9212000    
 N   -1.921400      0.9847000      0.6357000    
 N    2.188400      0.6375000     -0.1021000    
 N    4.259900       1.215500     -0.8564000    
 C   -1.038800       1.866500       1.409000    
 C   0.3242000       2.000500      0.7121000    
 C   0.8689000      0.6789000      0.2458000    
 C   -1.364600     -0.3769000      0.5582000    
 C   9.3800001E-02 -0.4149000      0.1911000    
 C   -3.268300      0.9604000       1.202100    
 C    3.040000     -0.4758000      2.5000000E-02
 C    4.303000     -0.1122000     -0.4384000    
 C    2.944500       1.720600     -0.6599000    
 C   -4.183000      0.1238000      0.3513000    
 C    2.794700      -1.747700      0.5039000    
 C    5.370100     -0.9839000     -0.4484000    
 C   -4.890700      0.7194000     -0.6847000    
 C   -4.309600      -1.234500      0.6118000    
 C    3.862700      -2.652000      0.5038000    
 C    5.136700      -2.274100      3.2699998E-02
 C   -5.739800     -5.6699999E-02  -1.473900    
 C   -5.158500      -2.010600     -0.1773000    
 C   -5.873600      -1.421700      -1.220200    
 H  -0.9019000       1.483000       2.429300    
 H   -1.477200       2.868300       1.495900    
 H    1.020800       2.481500       1.409400    
 H   0.2006000       2.663600     -0.1532000    
 H   -1.868800     -0.9396000     -0.2344000    
 H   -1.479400     -0.9182000       1.506000    
 H   0.4178000      -1.358800     -0.2272000    
 H   -3.673600       1.979600       1.255800    
 H   -3.267100      0.5842000       2.234600    
 H    5.045800       1.727900      -1.237400    
 H    1.866500      -2.077900      0.9473000    
 H    6.348400     -0.6904000     -0.8101000    
 H   -4.792800       1.781200     -0.8927000    
 H   -3.774800      -1.706500       1.431000    
 H    3.715100      -3.657900      0.8887000    
 H    5.947800      -2.997600      4.9100000E-02
 H   -6.296400      0.4018000      -2.286100    
 H   -5.266000      -3.072700      2.2700001E-02
 H   -6.535200      -2.025800      -1.834000    


%chk=000096482-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096482

0 1
O 2.211086 2.731516 -1.356278
N -1.912075 0.632501 0.831099
N 2.226654 0.589522 -0.230966
N 4.137179 1.324403 -1.172420
C -0.989343 1.490575 1.608081
C 0.268174 1.815237 0.778261
C 0.848729 0.545582 0.181400
C -1.321453 -0.687253 0.523552
C 0.118923 -0.596732 0.076891
C -3.264799 0.526380 1.417419
C 3.220478 -0.400591 -0.011448
C 4.430243 0.072042 -0.608393
C 2.786561 1.682946 -0.966063
C -4.303046 -0.014838 0.436404
C 3.193185 -1.625383 0.679986
C 5.621821 -0.669230 -0.545862
C -4.279072 0.376804 -0.926345
C -5.333682 -0.877155 0.883354
C 4.394925 -2.373254 0.747726
C 5.587842 -1.908597 0.140363
C -5.270315 -0.081661 -1.821390
C -6.330959 -1.333815 -0.009567
C -6.302451 -0.936639 -1.365961
H -0.684726 1.006373 2.572217
H -1.515883 2.428738 1.862463
H 1.025039 2.306783 1.419793
H 0.026858 2.528352 -0.029177
H -1.922949 -1.164104 -0.274267
H -1.384864 -1.379699 1.408900
H 0.550123 -1.499020 -0.371504
H -3.562926 1.547814 1.729073
H -3.276784 -0.105381 2.343934
H 4.773859 1.932832 -1.681369
H 2.280145 -1.986680 1.159771
H 6.546381 -0.303828 -1.004426
H -3.468555 1.031265 -1.266905
H -5.356525 -1.193763 1.934152
H 4.397738 -3.330010 1.280543
H 6.499352 -2.511968 0.204545
H -5.240071 0.227298 -2.872695
H -7.123102 -2.000323 0.350581
H -7.072217 -1.291338 -2.060771


