%chk=000040137.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040137

0 1
 O   3.0000001E-04  -1.000400     -0.8686000    
 N  -9.9999997E-05   2.936900     -0.4778000    
 N    0.000000       2.078200       1.830100    
 C   -1.291100      0.8507000      6.1900001E-02
 C    1.291200      0.8510000      6.2100001E-02
 C   -1.210200       2.147400     -0.7939000    
 C   -1.203800       1.267800       1.556400    
 C    1.210100       2.147600     -0.7938000    
 C    1.203800       1.268000       1.556400    
 C   9.9999997E-05  8.2800001E-02 -0.2876000    
 C  -1.9999999E-04   3.268600      0.9599000    
 C   -2.539900     -2.4999999E-03 -0.1812000    
 C    2.540000     -2.4000001E-03 -0.1810000    
 C   -2.708500      -1.206700      0.5040000    
 C    2.708600      -1.206500      0.5042000    
 C   -3.511300      0.4231000      -1.088600    
 C    3.511500      0.4231000      -1.088500    
 C   -3.845800      -1.983300      0.2826000    
 C    3.845600      -1.983400      0.2825000    
 C   -4.648500     -0.3535000      -1.310100    
 C    4.648500     -0.3535000      -1.310100    
 C   -4.815800      -1.556700     -0.6245000    
 C    4.815700      -1.556900     -0.6247000    
 C   -4.025100      -3.269700       1.015100    
 C    4.024900      -3.269700       1.015300    
 H   -1.204000       1.914500      -1.867500    
 H   -2.085100       2.787700     -0.6194000    
 H   -2.096500       1.840400       1.843500    
 H   -1.189500      0.3942000       2.220600    
 H    2.085000       2.788100     -0.6194000    
 H    1.204000       1.914700      -1.867500    
 H    1.189600      0.3944000       2.220600    
 H    2.096300       1.840800       1.843400    
 H   0.8691000       3.897400       1.194200    
 H  -0.8697000       3.897100       1.194200    
 H   -1.954700      -1.553000       1.206800    
 H    1.956500      -1.550900       1.209700    
 H   -3.429700       1.347700      -1.648800    
 H    3.430000       1.348000      -1.648500    
 H   -5.403700     -2.2399999E-02  -2.017100    
 H    5.404200     -2.2100000E-02  -2.016400    
 H   -5.705300      -2.153500     -0.8077000    
 H    5.707000      -2.152000     -0.8051000    
 H   -3.525800      -4.081400      0.4766000    
 H   -3.607200      -3.207800       2.025700    
 H   -5.085500      -3.522100       1.122300    
 H    3.062400      -3.766900       1.176900    
 H    4.653500      -3.965700      0.4495000    
 H    4.494400      -3.086300       1.986800    


%chk=000040137-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040137

0 1
O -0.005779 -1.160593 -0.752000
N 0.003095 2.926904 -0.528559
N 0.011412 2.088555 1.789739
C -1.290894 0.813887 0.007115
C 1.293407 0.808832 -0.003939
C -1.217237 2.151245 -0.843124
C -1.206719 1.287101 1.532145
C 1.217645 2.146478 -0.853590
C 1.224168 1.282446 1.521713
C -0.001561 0.015723 -0.297020
C 0.009975 3.295403 0.914947
C -2.573219 0.014679 -0.214669
C 2.570483 0.004453 -0.236946
C -2.747795 -1.226784 0.449741
C 2.746473 -1.237003 0.427017
C -3.630286 0.490746 -1.032901
C 3.621474 0.475376 -1.065953
C -3.933497 -1.989238 0.322444
C 3.927709 -2.004515 0.288840
C -4.821857 -0.255085 -1.169011
C 4.808441 -0.275616 -1.213192
C -4.977205 -1.484898 -0.494147
C 4.965328 -1.505430 -0.538598
C -4.067763 -3.328949 1.026845
C 4.063055 -3.344034 0.993419
H -1.237573 1.919341 -1.923176
H -2.097696 2.777676 -0.605742
H -2.101395 1.899259 1.753130
H -1.221967 0.408766 2.200793
H 2.102601 2.769405 -0.623854
H 1.227685 1.914505 -1.933772
H 1.241757 0.404107 2.190298
H 2.123080 1.891146 1.734964
H 0.913324 3.892241 1.127988
H -0.889203 3.895721 1.135707
H -1.930706 -1.628731 1.060736
H 1.933827 -1.635034 1.046464
H -3.537917 1.436076 -1.576115
H 3.527739 1.420650 -1.609028
H -5.630635 0.124672 -1.803904
H 5.612510 0.100156 -1.856382
H -5.905421 -2.058754 -0.604066
H 5.889907 -2.083401 -0.657174
H -3.409770 -4.087924 0.562093
H -3.780522 -3.258367 2.092178
H -5.102727 -3.709524 0.978729
H 3.393549 -4.099398 0.539275
H 5.094726 -3.731394 0.931466
H 3.791274 -3.269977 2.062574


