%chk=000031075.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031075

0 1
 O  -0.1811000       1.239200       2.190800    
 N  -0.9135000     -0.1326000      0.3887000    
 N    3.620600       2.397100      -1.506000    
 C    1.122400     -0.7058000       1.486100    
 C    2.437600      3.6699999E-02   1.247300    
 C   0.7974000      -1.654500      0.3623000    
 C  -5.0600000E-02  0.2942000       1.423900    
 C  -0.3962000      -1.275100     -0.2617000    
 C    1.118800      -1.414600       2.841300    
 C    2.392500      0.8309000     -5.6600001E-02
 C    1.532100      -2.746200     -8.1100002E-02
 C    3.670500       1.628800     -0.2930000    
 C  -0.8385000      -1.954600      -1.388700    
 C   -2.139800      0.5004000      5.5700000E-02
 C    1.068000      -3.455100      -1.187500    
 C  -0.1044000      -3.056100      -1.841500    
 C   -3.199000     -0.2457000     -0.4719000    
 C   -2.299000       1.876500      0.2514000    
 C   -4.403300      0.3769000     -0.8001000    
 C   -3.503300       2.499000     -7.6800004E-02
 C    4.824400       3.211500      -1.680100    
 C   -4.555500       1.749300     -0.6024000    
 H    2.630200      0.7283000       2.078000    
 H    3.279700     -0.6665000       1.219900    
 H    1.277700     -0.7033000       3.659800    
 H   0.1611000      -1.914800       3.029500    
 H    1.906300      -2.174400       2.899400    
 H    2.246100      0.1620000     -0.9130000    
 H    1.553800       1.536900     -5.3199999E-02
 H    2.454300      -3.039200      0.4094000    
 H    4.517700      0.9325000     -0.3273000    
 H    3.831100       2.291900      0.5666000    
 H   -1.693400      -1.650500      -1.978200    
 H    1.627900      -4.309400      -1.557400    
 H  -0.4372000      -3.598500      -2.722700    
 H    2.804100       3.007600      -1.500300    
 H   -3.174100      -1.327200     -0.5486000    
 H   -1.493200       2.501700      0.6230000    
 H   -5.231100     -0.2100000      -1.187500    
 H   -3.619800       3.568800      7.0000000E-02
 H    5.720600       2.584700      -1.729600    
 H    4.936400       3.937700     -0.8685000    
 H    4.754500       3.764200      -2.622000    
 H   -5.494400       2.233500     -0.8545000    


%chk=000031075-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031075

0 1
O -0.330904 1.293422 2.106885
N -1.008346 -0.141259 0.326090
N 3.939954 2.478826 -1.415230
C 1.078496 -0.661521 1.415491
C 2.405430 0.141502 1.247093
C 0.791101 -1.619328 0.270020
C -0.136096 0.302260 1.358352
C -0.445629 -1.279902 -0.339921
C 1.069720 -1.372860 2.798987
C 2.517832 0.952105 -0.061755
C 1.548255 -2.690627 -0.226319
C 3.873274 1.676157 -0.177404
C -0.932496 -1.980067 -1.461073
C -2.288313 0.446586 0.044349
C 1.066409 -3.421517 -1.343192
C -0.157635 -3.059971 -1.953076
C -3.422851 -0.378547 -0.164565
C -2.423640 1.856497 0.007024
C -4.678586 0.206960 -0.432545
C -3.686112 2.431729 -0.250896
C 5.216030 3.187211 -1.621403
C -4.816481 1.613513 -0.479619
H 2.490117 0.824404 2.115448
H 3.247597 -0.577534 1.313833
H 1.112958 -0.620030 3.605819
H 0.156957 -1.979396 2.933664
H 1.945014 -2.041549 2.886748
H 2.391527 0.296043 -0.942712
H 1.702810 1.705336 -0.097022
H 2.505248 -2.957400 0.236737
H 4.690026 0.926188 -0.213948
H 4.045878 2.288301 0.747146
H -1.865315 -1.695918 -1.955431
H 1.646645 -4.260921 -1.740574
H -0.515347 -3.618355 -2.825336
H 3.130415 3.108992 -1.494361
H -3.329025 -1.466628 -0.090093
H -1.552509 2.488647 0.194506
H -5.550574 -0.436982 -0.591598
H -3.784911 3.522460 -0.275072
H 6.031128 2.449921 -1.747447
H 5.508750 3.867622 -0.782930
H 5.164687 3.786382 -2.547917
H -5.793086 2.065450 -0.683852


