%chk=000080189.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080189

0 1
 O    3.856800      0.2257000      -1.683200    
 N   0.2264000      0.7885000      0.2862000    
 N    4.069500      -1.492400       1.209600    
 C    2.932800      3.6200002E-02 -0.6108000    
 C    1.658100     -0.6138000      -1.165400    
 C    2.598000       1.417400     -3.3900000E-02
 C   0.4981000     -0.5828000     -0.1654000    
 C    1.407000       1.381600      0.9287000    
 C  -0.9174000      0.8101000       1.197600    
 C   -2.167700      0.2878000      0.5411000    
 C    3.568900     -0.8194000      0.4080000    
 C   -3.008100       1.168200     -0.1257000    
 C   -2.462300      -1.066500      0.6121000    
 C   -4.166400      0.6845000     -0.7339000    
 C   -3.620700      -1.550300      4.0000002E-03
 C   -4.472800     -0.6748000     -0.6691000    
 H    1.855500      -1.650500      -1.469200    
 H    1.357200     -9.2299998E-02  -2.085100    
 H    2.373700       2.110100     -0.8575000    
 H    3.471500       1.844900      0.4761000    
 H  -0.3438000      -1.001400     -0.7227000    
 H   0.7109000      -1.249100      0.6804000    
 H    1.676200      0.8326000       1.840300    
 H    1.185100       2.413200       1.228500    
 H   -1.107500       1.838300       1.534300    
 H  -0.7129000      0.2336000       2.110800    
 H    4.003200     -0.6355000      -2.111300    
 H   -2.778400       2.228400     -0.1842000    
 H   -1.817500      -1.758800       1.146200    
 H   -4.829700       1.366100      -1.258300    
 H   -3.861100      -2.608000      5.7500001E-02
 H   -5.375100      -1.051300      -1.142000    


%chk=000080189-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080189

0 1
O 3.875217 0.762678 -1.786943
N 0.259854 0.569708 0.423981
N 4.315842 -1.368282 0.898603
C 2.963741 0.290840 -0.725032
C 1.725054 -0.436775 -1.313828
C 2.507325 1.562112 0.027967
C 0.657491 -0.698554 -0.232953
C 1.415731 1.239905 1.067063
C -0.887384 0.395371 1.348855
C -2.185414 0.047997 0.625360
C 3.707574 -0.626013 0.188435
C -2.538312 0.716673 -0.574683
C -3.077128 -0.912886 1.161156
C -3.760063 0.431818 -1.222507
C -4.303850 -1.197794 0.516696
C -4.649418 -0.525370 -0.677573
H 2.024370 -1.393183 -1.784067
H 1.307463 0.224779 -2.094546
H 2.107111 2.253224 -0.734868
H 3.376231 2.041166 0.511504
H -0.235290 -1.145740 -0.703289
H 1.047615 -1.440169 0.511227
H 1.852712 0.615988 1.888966
H 1.065356 2.183110 1.524860
H -1.016272 1.357025 1.885658
H -0.682852 -0.379463 2.130870
H 4.183902 -0.014945 -2.321570
H -1.835597 1.446211 -0.993045
H -2.810491 -1.443026 2.084425
H -4.021537 0.955108 -2.149570
H -4.983437 -1.944898 0.942379
H -5.598041 -0.746312 -1.179832


