%chk=000015503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015503

0 1
 O    3.302900      -3.049800      6.8999999E-03
 O    1.105000      -3.002900      7.1500003E-02
 O    4.816800       2.950600     -0.1060000    
 O    5.838800       1.002900     -0.1154000    
 N  -0.1953000     -0.8895000      8.6599998E-02
 N   -1.324000     -0.1584000      5.4699998E-02
 N    2.216500      -2.426700      3.1199999E-02
 N    4.794300       1.696700     -9.2299998E-02
 C    1.060300     -0.2617000      4.0399998E-02
 C    2.246200      -1.004100      1.2900000E-02
 C    1.124700       1.135800      2.3399999E-02
 C   -3.709200      1.4000000E-02  2.8800000E-02
 C    3.480900     -0.3568000     -3.1099999E-02
 C    3.537600       1.036800     -4.7899999E-02
 C   -2.488300     -0.7726000      9.9399999E-02
 C    2.359500       1.783200     -2.0500001E-02
 C   -4.859400     -0.5330000     -0.5396000    
 C   -3.729900       1.315900      0.5291000    
 C   -2.594800      -2.297000      0.2219000    
 C   -6.030500      0.2219000     -0.6077000    
 C   -4.900900       2.070700      0.4611000    
 C   -6.051200       1.523700     -0.1073000    
 H   0.2304000       1.753300      4.5600001E-02
 H    4.402000     -0.9345000     -5.2200001E-02
 H    2.365200       2.870200     -3.1900000E-02
 H  -0.2399000      -1.896700      5.7200000E-02
 H   -4.871300      -1.532200     -0.9651000    
 H   -2.849000       1.762100      0.9835000    
 H   -3.604800      -2.622700      0.4806000    
 H   -2.297500      -2.758200     -0.7241000    
 H   -1.942900      -2.651000       1.026300    
 H   -6.924600     -0.2013000      -1.056300    
 H   -4.917700       3.084000      0.8520000    
 H   -6.962600       2.111800     -0.1614000    


%chk=000015503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015503

0 1
O 3.417320 -3.083578 0.128782
O 1.139615 -3.118400 0.081055
O 4.839952 3.029478 -0.040365
O 5.918903 1.015089 0.019555
N -0.199249 -0.892441 0.030222
N -1.367321 -0.145220 0.014117
N 2.288010 -2.468719 0.088861
N 4.846176 1.735427 -0.005672
C 1.024206 -0.260492 0.020240
C 2.261404 -1.009411 0.048988
C 1.112835 1.170560 -0.019819
C -3.752171 -0.010504 0.007599
C 3.511280 -0.350958 0.041244
C 3.543251 1.047019 0.003147
C -2.511815 -0.826437 0.013455
C 2.344809 1.817075 -0.028524
C -5.010664 -0.570156 -0.352120
C -3.701656 1.372424 0.356428
C -2.558775 -2.345333 0.024936
C -6.177423 0.224721 -0.364763
C -4.866698 2.161078 0.347973
C -6.113159 1.591597 -0.012627
H 0.176142 1.729430 -0.047904
H 4.435661 -0.933503 0.064749
H 2.417670 2.907299 -0.060612
H -0.155515 -1.932800 0.043120
H -5.088270 -1.621137 -0.648974
H -2.737701 1.804562 0.639623
H -3.580519 -2.727483 0.148139
H -2.143784 -2.772196 -0.909533
H -1.960691 -2.753254 0.863720
H -7.134807 -0.223533 -0.651561
H -4.809339 3.218740 0.627580
H -7.020375 2.205552 -0.016758


