%chk=000003982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003982

0 1
 O   -4.076700      -2.557200     -0.5387000    
 N   -2.041300       1.831200     -4.5800000E-02
 N    3.862800      0.7756000     -0.1609000    
 C  -0.7142000       1.259700      0.3156000    
 C  -0.6064000     -0.2650000      1.7800000E-02
 C   0.4218000       2.103400     -0.3738000    
 C   -3.068600     -0.3989000     -0.3585000    
 C   -3.131300      0.9437000      0.3877000    
 C    1.737800       1.420800     -0.2564000    
 C   0.7356000     -0.8849000      9.3400002E-02
 C    1.788100      2.7500000E-02 -4.5000002E-02
 C   -1.686800     -0.9906000     -0.3184000    
 C    3.114100     -0.3687000      9.3999999E-03
 C   -4.092000      -1.370800      0.2315000    
 C   -2.245300       3.165100      0.5287000    
 C    3.036800       1.866700     -0.3251000    
 C    1.075500      -2.228800      0.2908000    
 C    3.470200      -1.704000      0.2041000    
 C    2.419800      -2.624800      0.3434000    
 H  -0.5779000       1.349500       1.405300    
 H   0.4950000       3.095500      8.5299999E-02
 H   0.1925000       2.241600      -1.438400    
 H   -3.310800     -0.2378000      -1.418400    
 H   -4.101800       1.406000      0.1643000    
 H   -3.093200      0.7890000       1.475300    
 H   -1.583600      -2.038100     -0.5875000    
 H   -5.103300     -0.9517000      0.2068000    
 H   -3.853600      -1.630600       1.268600    
 H   -2.151200       3.163000       1.620600    
 H   -3.241100       3.546100      0.2732000    
 H   -1.539000       3.891900      0.1173000    
 H    3.455300       2.851500     -0.4781000    
 H   0.3059000      -2.985800      0.4172000    
 H    4.872700      0.8108000     -0.1692000    
 H    4.506300      -2.020100      0.2476000    
 H    2.656400      -3.675000      0.4999000    
 H   -4.344700      -2.326400      -1.444600    


%chk=000003982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003982

0 1
O -4.230247 -2.622416 -0.630784
N -2.039218 1.819477 0.017510
N 3.949834 0.809477 -0.122557
C -0.685245 1.261401 0.297307
C -0.611095 -0.250851 -0.019870
C 0.405679 2.088694 -0.474401
C -3.113355 -0.390806 -0.362136
C -3.133812 0.917462 0.450427
C 1.762271 1.456765 -0.287766
C 0.742901 -0.853935 0.076452
C 1.829092 0.045007 -0.037224
C -1.719364 -0.972728 -0.350872
C 3.193034 -0.358084 0.054895
C -4.149830 -1.400730 0.185993
C -2.221354 3.179361 0.567914
C 3.079497 1.908379 -0.328334
C 1.073515 -2.212856 0.291999
C 3.521543 -1.717289 0.265501
C 2.437658 -2.622994 0.377300
H -0.443928 1.364760 1.391720
H 0.402390 3.135448 -0.122448
H 0.113130 2.100773 -1.543238
H -3.401376 -0.144019 -1.409413
H -4.093227 1.445882 0.292660
H -3.065329 0.671063 1.543337
H -1.630364 -2.036143 -0.609456
H -5.147335 -0.915256 0.265772
H -3.851055 -1.760810 1.185131
H -2.068002 3.229375 1.676255
H -3.246821 3.524968 0.348150
H -1.525533 3.891128 0.094350
H 3.480872 2.907472 -0.489804
H 0.284204 -2.961848 0.420323
H 4.965249 0.866837 -0.109429
H 4.555502 -2.070461 0.343228
H 2.656473 -3.683358 0.548844
H -4.492555 -2.369745 -1.552337


