%chk=000006857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006857

0 1
 O    1.443700       1.133600      1.6000001E-02
 N  -0.1001000     -0.5094000      0.4797000    
 N    4.810200     -0.3377000      0.2182000    
 C   -1.641600      -2.304800      0.9782000    
 C   -1.799900      -3.191800     -0.2655000    
 C   -1.391100     -0.8766000      0.6246000    
 C   -2.214300       1.316700      0.1310000    
 C   -2.095400      -4.644200      0.1083000    
 C  -0.8781000       1.738000     -2.8899999E-02
 C   -2.468500     -1.8800000E-02  0.4646000    
 C   0.1248000      0.7845000      0.1578000    
 C    3.792400      0.6791000     -3.0000001E-04
 C    2.402700      0.1043000      0.2228000    
 C   -3.250600       2.247600     -4.8799999E-02
 C  -0.6020000       3.073900     -0.3637000    
 C   -2.291300      -5.508900      -1.126800    
 C   -2.964700       3.572900     -0.3814000    
 C   -1.643400       3.985200     -0.5385000    
 C    6.151300      0.2256000      4.4399999E-02
 C    4.615900      -1.469500     -0.6914000    
 H  -0.8052000      -2.675500       1.584700    
 H   -2.532700      -2.382800       1.613800    
 H  -0.8860000      -3.144900     -0.8716000    
 H   -2.613000      -2.804700     -0.8929000    
 H   -1.270700      -5.048900      0.7062000    
 H   -2.999300      -4.692800      0.7265000    
 H   -3.486700     -0.3757000      0.5927000    
 H    3.855000       1.112800      -1.007800    
 H    3.935500       1.515500      0.6964000    
 H    2.321300     -0.2838000       1.246400    
 H    2.190100     -0.6947000     -0.4954000    
 H   -4.289800       1.948000      6.8700001E-02
 H   0.4197000       3.423000     -0.4925000    
 H   -1.393900      -5.506200      -1.753700    
 H   -3.132200      -5.149200      -1.728500    
 H   -2.499600      -6.543300     -0.8361000    
 H   -3.774600       4.283800     -0.5179000    
 H   -1.423900       5.016900     -0.7974000    
 H    6.315500      0.5943000     -0.9747000    
 H    6.917200     -0.5250000      0.2688000    
 H    6.313200       1.055000      0.7421000    
 H    5.470700      -2.154900     -0.6344000    
 H    4.513100      -1.154900      -1.736500    
 H    3.751500      -2.077700     -0.4077000    


%chk=000006857-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006857

0 1
O 1.318412 1.014068 -0.051923
N -0.373917 -0.539132 0.466857
N 4.752056 -0.465717 0.003481
C -2.036212 -2.270035 0.998269
C -1.777542 -3.226116 -0.197363
C -1.723127 -0.825244 0.668019
C -2.343044 1.506153 0.207383
C -2.008019 -4.709882 0.166196
C -0.948034 1.809342 -0.006596
C -2.706797 0.158279 0.550848
C -0.021706 0.708514 0.148659
C 3.663377 0.516557 -0.206083
C 2.294718 -0.091612 0.125352
C -3.298890 2.563825 0.068608
C -0.543327 3.134521 -0.348423
C -1.755197 -5.661959 -1.022737
C -2.885366 3.856999 -0.267768
C -1.501166 4.146855 -0.478011
C 6.066564 0.183297 0.184074
C 4.798976 -1.516210 -1.035366
H -1.395903 -2.588928 1.844508
H -3.089653 -2.358864 1.325469
H -0.735422 -3.080965 -0.542705
H -2.436856 -2.943837 -1.043448
H -1.342710 -4.984309 1.010342
H -3.046788 -4.842222 0.532756
H -3.758099 -0.096489 0.719218
H 3.645878 0.922404 -1.249186
H 3.830845 1.372119 0.473244
H 2.260768 -0.454548 1.167136
H 2.011199 -0.925363 -0.540943
H -4.360958 2.344676 0.229457
H 0.520394 3.336231 -0.503852
H -0.714748 -5.571179 -1.387942
H -2.428147 -5.427033 -1.868997
H -1.923458 -6.717516 -0.739847
H -3.625760 4.658233 -0.371803
H -1.194589 5.165265 -0.740285
H 6.417972 0.741728 -0.721126
H 6.826172 -0.581899 0.425516
H 6.019649 0.893890 1.028091
H 5.592949 -2.242706 -0.787014
H 5.007028 -1.110540 -2.058820
H 3.843681 -2.066655 -1.073749


