%chk=000040144.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040144

0 1
 O  -6.3299999E-02  -1.229500      -1.694200    
 N  -0.6035000      0.8731000     -0.8792000    
 N   -3.213100     -0.9249000     -0.4540000    
 C    1.582600     -0.1089000     -0.4557000    
 C    3.419400       1.239800      0.3469000    
 C    3.537500      -1.169100      0.4884000    
 C    2.273600      -1.265200     -9.3900003E-02
 C    2.155600       1.143700     -0.2354000    
 C    4.110400      8.3499998E-02  0.7088000    
 C   -1.951300      0.9133000      -1.399200    
 C   0.2645000     -0.2094000      -1.062700    
 C   -2.952200      0.3966000     -0.4064000    
 C    4.032200       2.579000      0.5826000    
 C    4.276600      -2.405500      0.8750000    
 C   -3.536100       1.282000      0.4786000    
 C   -4.458700      0.7718000       1.385100    
 C   -4.115000      -1.384500      0.4421000    
 C   -4.759200     -0.5858000       1.373100    
 H    1.831400      -2.245600     -0.2562000    
 H    1.655800       2.061400     -0.5330000    
 H    5.094100      0.1578000       1.166300    
 H   -2.002100      0.3182000      -2.318300    
 H   -2.171600       1.951000      -1.673000    
 H  -0.3267000       1.653200     -0.2927000    
 H    5.124200       2.514900      0.6388000    
 H    3.793800       3.267800     -0.2350000    
 H    3.660300       3.002200       1.521000    
 H    4.037100      -3.235200      0.2014000    
 H    4.014000      -2.695700       1.897100    
 H    5.359800      -2.252700      0.8214000    
 H   -3.293000       2.338800      0.4805000    
 H   -4.942300       1.430800       2.100000    
 H   -4.314100      -2.449900      0.3917000    
 H   -5.475100      -1.005400       2.070500    


%chk=000040144-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040144

0 1
O 0.348251 -1.510354 -2.102291
N -0.703477 -0.194472 -0.522692
N -2.634122 1.060395 0.764003
C 1.741846 -0.485677 -0.382687
C 3.135333 0.518471 1.384643
C 4.180636 -0.837403 -0.405373
C 2.899121 -1.044231 -0.971075
C 1.869078 0.294656 0.797873
C 4.279913 -0.055211 0.769967
C -2.019175 -0.416637 -1.109012
C 0.424102 -0.769129 -1.064079
C -3.074360 0.335143 -0.308976
C 3.278290 1.357017 2.644147
C 5.415075 -1.444131 -1.050732
C -4.443612 0.279707 -0.668008
C -5.383407 0.993620 0.103773
C -3.550961 1.748379 1.504894
C -4.931659 1.745704 1.215152
H 2.767543 -1.644382 -1.878769
H 0.990312 0.735979 1.283884
H 5.267381 0.112290 1.220485
H -2.254718 -1.500330 -1.134568
H -2.033590 -0.087723 -2.168503
H -0.711622 0.418799 0.301116
H 3.864661 2.275225 2.450104
H 2.294915 1.665231 3.039244
H 3.802931 0.799030 3.442079
H 5.551716 -1.068853 -2.082256
H 5.331457 -2.545000 -1.116335
H 6.330050 -1.207124 -0.480725
H -4.757861 -0.312132 -1.534489
H -6.447269 0.965844 -0.153964
H -3.153464 2.315223 2.353999
H -5.627712 2.313676 1.839571


