%chk=000042692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042692

0 1
 O    3.654700       1.680700     -3.4600001E-02
 O   -2.576500       2.793900      0.4732000    
 N    1.778900      -1.888100      0.2342000    
 N  -0.5810000     -0.6283000     -0.3684000    
 C    1.562600      0.5185000     -0.2041000    
 C    2.300200     -0.7468000     -0.5156000    
 C   0.1651000      0.5355000     -0.1418000    
 C  -0.4885000       1.743700      0.1525000    
 C    2.292900       1.686300      2.3800001E-02
 C    1.896000      -1.651900       1.672900    
 C    2.485000      -3.112800     -0.1413000    
 C   -1.980600     -0.6718000     -0.3200000    
 C   -2.710700      0.4934000     -3.2499999E-02
 C   -1.973500       1.759700      0.2175000    
 C   0.2411000       2.913900      0.3811000    
 C    1.633600       2.880100      0.3156000    
 C    1.358400      -2.829500       2.468200    
 C    2.322300      -3.408200      -1.622700    
 C   -2.672500      -1.864900     -0.5548000    
 C   -4.107400      0.4672000      1.9200001E-02
 C   -4.067300      -1.892900     -0.5035000    
 C   -4.782100     -0.7301000     -0.2172000    
 C    4.249300       1.952400      -1.301900    
 H    2.178700     -0.8830000      -1.596400    
 H    3.376800     -0.6546000     -0.3289000    
 H    2.937100      -1.464800       1.967500    
 H    1.314700     -0.7794000       1.988300    
 H    3.551200      -3.069300      0.1145000    
 H    2.058300      -3.981100      0.3706000    
 H  -9.7599998E-02  -1.485700     -0.5977000    
 H  -0.2537000       3.853500      0.6098000    
 H    2.199900       3.790300      0.4943000    
 H    2.040700      -3.685000       2.467700    
 H    1.234800      -2.534900       3.516700    
 H   0.3763000      -3.151600       2.104800    
 H    2.938100      -2.756600      -2.250000    
 H    2.646500      -4.434500      -1.829500    
 H    1.277300      -3.326800      -1.941300    
 H   -2.130700      -2.780600     -0.7790000    
 H   -4.682200       1.361800      0.2406000    
 H   -4.597100      -2.823300     -0.6868000    
 H   -5.867400     -0.7573000     -0.1783000    
 H    3.895400       1.248500      -2.061500    
 H    5.332600       1.842700      -1.202100    
 H    4.029100       2.978800      -1.612100    


%chk=000042692-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042692

0 1
O 3.744526 1.577046 -0.509228
O -2.615606 2.875659 -0.070098
N 1.818201 -2.024203 0.145498
N -0.486472 -0.705905 -0.291978
C 1.645518 0.449403 -0.405434
C 2.396338 -0.860600 -0.617786
C 0.218400 0.494603 -0.308889
C -0.483842 1.740458 -0.224787
C 2.345136 1.679107 -0.396093
C 2.046512 -1.860114 1.619504
C 2.352229 -3.322621 -0.370624
C -1.873847 -0.757465 -0.201324
C -2.637794 0.453195 -0.136633
C -1.962377 1.775951 -0.140621
C 0.265891 2.942416 -0.222702
C 1.664295 2.928676 -0.298014
C 1.114269 -2.732949 2.478982
C 1.716999 -3.758313 -1.704740
C -2.540460 -2.017384 -0.170229
C -4.053588 0.372847 -0.051640
C -3.940284 -2.067177 -0.082174
C -4.707632 -0.868680 -0.024626
C 4.531281 2.813538 -0.477286
H 2.351258 -1.124649 -1.692257
H 3.468028 -0.714414 -0.368136
H 3.113626 -2.067672 1.870580
H 1.863779 -0.796415 1.857472
H 3.462483 -3.269189 -0.476017
H 2.141653 -4.094829 0.389869
H 0.143324 -1.553994 -0.186503
H -0.293556 3.881601 -0.158262
H 2.219909 3.869922 -0.292100
H 1.275356 -3.813650 2.314822
H 1.295185 -2.531673 3.550513
H 0.055423 -2.504036 2.263361
H 1.925899 -3.046954 -2.523243
H 2.119021 -4.741434 -2.010802
H 0.620571 -3.850217 -1.604954
H -1.951134 -2.940688 -0.222456
H -4.604615 1.318285 -0.004681
H -4.445991 -3.039411 -0.060467
H -5.799353 -0.920210 0.041089
H 4.277709 3.472543 -1.329259
H 5.578274 2.486537 -0.560309
H 4.384258 3.360161 0.473662


