%chk=000046211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046211

0 1
 O  -0.3114000      0.1223000       1.896400    
 N    2.270200       2.399600      -1.332100    
 C   -1.353100      0.4139000     -0.1867000    
 C   -2.475400     -0.5387000      0.2470000    
 C   -1.720100       1.870300      0.1286000    
 C  -3.3700000E-02  3.3100002E-02  0.4824000    
 C   -3.817000     -0.1460000     -0.3677000    
 C   -3.062900       2.258900     -0.4857000    
 C   -4.174200       1.304700     -5.9500001E-02
 C   0.3303000      -1.416400      0.1162000    
 C    1.147900      0.9772000      0.2025000    
 C   0.6789000      -1.690900      -1.182000    
 C   0.2900000      -2.366800       1.104700    
 C    2.063800       1.207700       1.187900    
 C    1.256100       1.561300      -1.021000    
 C    1.009300      -3.004800      -1.514100    
 C   0.6205000      -3.680600      0.7725000    
 C    3.121700       2.064700      0.9057000    
 C   0.9801000      -3.999500     -0.5369000    
 C    3.179000       2.630000     -0.3582000    
 H   -1.273300      0.3282000      -1.279200    
 H   -2.603300     -0.5647000       1.334900    
 H   -2.267600      -1.566800     -6.8999998E-02
 H  -0.9801000       2.575600     -0.2589000    
 H   -1.790500       2.071600       1.202200    
 H   -4.604600     -0.8077000      1.0200000E-02
 H   -3.776100     -0.2884000      -1.454800    
 H   -2.978400       2.255500      -1.579500    
 H   -3.323100       3.281900     -0.1903000    
 H   -5.106100       1.571800     -0.5704000    
 H   -4.356500       1.414600       1.016600    
 H   -1.132000      0.5874000       2.103600    
 H   0.6927000     -0.9447000      -1.966900    
 H   1.3000000E-02  -2.158000       2.131900    
 H    2.013300      0.7444000       2.167200    
 H   0.5610000       1.404700      -1.836000    
 H    1.284900      -3.254400      -2.534600    
 H   0.5970000      -4.455900       1.532800    
 H    3.880000       2.280400       1.649800    
 H    1.236000      -5.022800     -0.7958000    
 H    3.984900       3.304100     -0.6289000    


%chk=000046211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046211

0 1
O -0.250691 0.065668 2.041517
N 2.277145 2.479696 -1.366786
C -1.420605 0.467247 -0.120842
C -2.555316 -0.551511 0.162057
C -1.879085 1.896758 0.278945
C -0.067521 0.054115 0.568688
C -3.868064 -0.150378 -0.552510
C -3.181691 2.300916 -0.454234
C -4.313359 1.283193 -0.182531
C 0.324657 -1.394122 0.207312
C 1.108779 0.995263 0.212930
C 0.674369 -1.720521 -1.127252
C 0.329905 -2.414468 1.188078
C 2.177964 1.147130 1.132866
C 1.219090 1.685573 -1.022219
C 1.013832 -3.045175 -1.477836
C 0.675875 -3.739891 0.838104
C 3.278924 1.961964 0.797266
C 1.016514 -4.062518 -0.494894
C 3.288886 2.608793 -0.459968
H -1.242843 0.463344 -1.217269
H -2.722514 -0.606755 1.256407
H -2.248166 -1.562100 -0.163436
H -1.084458 2.638347 0.073817
H -2.084231 1.928858 1.372374
H -4.665632 -0.875615 -0.299583
H -3.719806 -0.212056 -1.651135
H -2.985308 2.350317 -1.545388
H -3.490225 3.316420 -0.139114
H -5.222943 1.561542 -0.749341
H -4.582433 1.316636 0.893792
H -0.541435 0.976579 2.300853
H 0.697643 -0.941264 -1.898023
H 0.062724 -2.157825 2.216015
H 2.131984 0.621906 2.091922
H 0.432559 1.619228 -1.782916
H 1.283447 -3.280964 -2.513524
H 0.677252 -4.520257 1.607865
H 4.116741 2.092964 1.489818
H 1.284435 -5.090280 -0.764795
H 4.124803 3.250046 -0.762132


