%chk=000036699.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036699

0 1
 O   0.6694000      -2.277500       1.021800    
 N   -2.547600       1.756900      0.7855000    
 N   -1.361300      -2.592000     -7.1900003E-02
 C  -5.2999998E-03 -0.6985000     -0.6408000    
 C    1.365700     -6.9200002E-02 -0.4385000    
 C   0.7682000       1.466100       1.593600    
 C   -1.184400      0.2391000     -0.5232000    
 C    1.705100      0.8597000      0.5682000    
 C  -0.5807000      0.8049000       1.850300    
 C   -1.482900      0.9242000      0.6559000    
 C  -0.1784000      -1.928200      0.2047000    
 C    2.382800     -0.5052000      -1.321300    
 C    3.035500       1.337100      0.6259000    
 C   -2.045700      0.4343000      -1.610800    
 C    3.689200     -2.7300000E-02  -1.236800    
 C    4.016300      0.8996000     -0.2615000    
 C   -3.142800       1.280100      -1.500300    
 C   -3.348800       1.911500     -0.2897000    
 C   -1.754200      -3.815600      0.5888000    
 H  -1.9900000E-02  -1.071100      -1.677300    
 H    1.296100       1.479100       2.557200    
 H   0.6047000       2.514800       1.308700    
 H   -1.056600       1.316800       2.697400    
 H  -0.4742000     -0.2363000       2.165500    
 H    2.157500      -1.237100      -2.095300    
 H    3.315500       2.069500       1.381600    
 H   -1.868900     -7.5400002E-02  -2.554700    
 H    4.444600     -0.3804000      -1.932100    
 H    5.029200       1.283200     -0.1874000    
 H   -3.814600       1.436300      -2.336400    
 H   -1.968100      -2.254800     -0.8124000    
 H   -4.189800       2.581800     -0.1470000    
 H   -2.830600      -3.777400      0.7720000    
 H   -1.217900      -3.939000       1.532800    
 H   -1.526100      -4.651700     -7.6800004E-02


%chk=000036699-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036699

0 1
O 0.862433 -2.709674 0.478236
N -2.601239 1.669229 0.692122
N -1.438201 -2.479391 0.213722
C 0.031385 -0.719346 -0.761035
C 1.394238 -0.062167 -0.490723
C 0.708147 1.321944 1.658903
C -1.168736 0.214115 -0.669027
C 1.686168 0.824445 0.588164
C -0.666975 0.625543 1.796363
C -1.523680 0.834240 0.567648
C -0.131348 -2.048125 0.061360
C 2.433355 -0.400389 -1.398520
C 3.008146 1.338320 0.695074
C -1.969494 0.493047 -1.801851
C 3.737790 0.114667 -1.275722
C 4.028032 1.000057 -0.213941
C -3.081122 1.358043 -1.683304
C -3.358612 1.917987 -0.417489
C -1.776526 -3.739194 0.886723
H 0.072170 -1.078893 -1.810300
H 1.220380 1.252776 2.638248
H 0.526504 2.403018 1.487579
H -1.203212 1.059598 2.657184
H -0.518870 -0.451800 1.998300
H 2.210092 -1.097745 -2.215232
H 3.234407 2.021650 1.524003
H -1.719573 0.041630 -2.769746
H 4.513819 -0.172171 -1.993511
H 5.034467 1.416081 -0.093488
H -3.712861 1.593546 -2.545327
H -2.190953 -1.874776 -0.121582
H -4.211523 2.591093 -0.272220
H -2.386672 -3.559916 1.791369
H -0.831375 -4.221793 1.182744
H -2.329559 -4.417348 0.210971


