%chk=000045664.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045664

1 1
 O    3.481700      -1.473300      6.9999998E-04
 N   -2.989700     -0.1762000     -3.0000001E-04
 N    2.572600      0.6999000      9.9999997E-05
 N    4.857300      0.3512000     -1.9000000E-03
 C   -1.477700      6.1999999E-02 -7.9999998E-04
 C   -3.587300      0.4622000      -1.251000    
 C   -3.583800      0.4423000       1.262000    
 C   -3.340000      -1.662800     -1.1200000E-02
 C   -1.060300       1.350500      9.9999997E-05
 C  -0.6845000      -1.036000     -6.9999998E-04
 C   0.3177000       1.567600      1.2000001E-03
 C   0.6934000     -0.8190000      5.0000002E-04
 C    1.194400      0.4828000      1.4000000E-03
 C    3.606400     -0.2514000     -9.9999997E-05
 H   -3.081700      5.1199999E-02  -2.130600    
 H   -4.653600      0.2155000      -1.281500    
 H   -3.476000       1.549000      -1.205900    
 H   -3.467100       1.529200       1.235700    
 H   -4.651000      0.1992000       1.289200    
 H   -3.078500      1.4000000E-02   2.133700    
 H   -2.961900      -2.137200      0.9003000    
 H   -4.432900      -1.747200     -1.3800000E-02
 H   -2.957900      -2.124400     -0.9276000    
 H   -1.720300       2.209300      1.5000000E-03
 H   -1.004800      -2.068200     -7.9999998E-04
 H   0.6946000       2.587300      1.8000000E-03
 H    1.310200      -1.707000      3.9999999E-04
 H    2.865900       1.673800     -3.0000001E-04
 H    5.706400     -0.2038000     -2.4000001E-03
 H    4.963800       1.360000     -2.6000000E-03


%chk=000045664-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045664

1 1
O 3.529773 -1.436836 -0.005889
N -3.050522 -0.193578 -0.000186
N 2.642469 0.755730 0.001177
N 4.966144 0.393142 -0.000506
C -1.534737 0.010450 -0.000207
C -3.660919 0.456305 -1.251163
C -3.658957 0.442699 1.258727
C -3.441251 -1.671043 -0.007884
C -1.035493 1.334074 0.004139
C -0.640886 -1.080054 -0.004192
C 0.350272 1.556090 0.004451
C 0.749778 -0.862297 -0.003844
C 1.268946 0.464396 0.000531
C 3.710425 -0.187355 -0.002023
H -3.209794 -0.008369 -2.139969
H -4.750577 0.296642 -1.241995
H -3.440221 1.532152 -1.247550
H -3.438044 1.518467 1.266536
H -4.748646 0.283281 1.249432
H -3.206605 -0.031792 2.141712
H -3.043262 -2.162084 0.891545
H -4.540103 -1.733582 -0.006734
H -3.045730 -2.152007 -0.913827
H -1.697542 2.206663 0.007319
H -0.984749 -2.116910 -0.007601
H 0.721183 2.587477 0.007812
H 1.446850 -1.702345 -0.006864
H 2.889047 1.748090 0.004359
H 5.762043 -0.242302 -0.002651
H 5.146507 1.395397 0.002445


