%chk=000016010.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016010

0 1
 O    3.957900       1.613500     -0.1374000    
 N    3.179700     -0.6119000     -0.1346000    
 N   -4.267100      0.1357000     -0.3046000    
 N   -2.317500     -9.3400002E-02  0.6961000    
 N   -2.907000      2.4999999E-03 -0.4023000    
 C    1.806200     -0.4821000      7.3799998E-02
 C  -0.9403000     -0.2229000      0.4890000    
 C    1.239000      0.7841000      0.2190000    
 C    1.000000      -1.618800      0.1361000    
 C  -0.1342000      0.9136000      0.4267000    
 C  -0.3733000      -1.489100      0.3437000    
 C    4.140600      0.4038000     -0.2265000    
 C   -4.908300      0.7781000      0.8297000    
 C   -4.998300      4.0199999E-02  -1.551600    
 C    5.522900     -0.1534000     -0.4571000    
 H    1.797600       1.708800      0.1825000    
 H    1.428200      -2.611700      2.4599999E-02
 H  -0.5679000       1.904000      0.5395000    
 H  -0.9931000      -2.380700      0.3913000    
 H    3.515700      -1.567900     -0.2311000    
 H   -5.954400      0.4616000      0.8780000    
 H   -4.858700       1.861800      0.6936000    
 H   -4.424500      0.4968000       1.768400    
 H   -4.460300     -0.6065000      -2.251100    
 H   -5.103600       1.040900      -1.979500    
 H   -5.985100     -0.3901000      -1.359900    
 H    5.812100     -0.7849000      0.3876000    
 H    6.241600      0.6652000     -0.5517000    
 H    5.536300     -0.7445000      -1.377100    


%chk=000016010-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016010

0 1
O 4.261714 1.156868 1.015399
N 3.264292 -0.524048 -0.289521
N -4.444353 0.048956 -0.259701
N -2.313989 0.537653 0.214223
N -3.132030 -0.278040 -0.424113
C 1.875760 -0.234962 -0.145234
C -0.933376 0.210444 0.042171
C 1.379288 0.845407 0.631909
C 0.957143 -1.085374 -0.823859
C -0.010535 1.053222 0.715050
C -0.426401 -0.871259 -0.735632
C 4.359685 0.141494 0.263733
C -4.867848 1.196212 0.558476
C -5.414733 -0.827659 -0.916382
C 5.718459 -0.453285 -0.106739
H 2.082085 1.497586 1.152411
H 1.337071 -1.922266 -1.426063
H -0.409445 1.881734 1.309756
H -1.126925 -1.527828 -1.259868
H 3.479546 -1.330529 -0.879793
H -5.966486 1.267824 0.520752
H -4.412040 2.129050 0.179320
H -4.530805 1.074849 1.604784
H -4.853252 -1.595834 -1.469526
H -6.048683 -0.262377 -1.626133
H -6.073608 -1.324813 -0.178101
H 6.244843 -0.745517 0.818370
H 6.328132 0.325891 -0.595898
H 5.660689 -1.330700 -0.774691


