%chk=000032976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032976

1 1
 O   -2.873500      0.6423000       1.189200    
 N   0.9585000      -1.957900      0.2518000    
 C  -0.2616000      -1.333300     -0.3310000    
 C    2.219900      -1.423300     -0.4361000    
 C   -1.510000      -1.848800      0.3978000    
 C    1.059900      -1.649200       1.750000    
 C   0.9221000      -3.480300      7.5300001E-02
 C  -0.3001000      -1.678100      -1.814800    
 C   -2.854200      -1.350900     -0.1528000    
 C    2.396600      5.7399999E-02 -0.2716000    
 C   -3.023600      0.1446000     -4.7699999E-02
 C    1.845500      0.9249000      -1.208100    
 C    3.109500      0.5492000      0.8163000    
 C   -3.300900       1.087100     -0.9719000    
 C    2.009600       2.301600      -1.055100    
 C    3.273500       1.926000      0.9693000    
 C    2.723400       2.802200      3.3599999E-02
 C   -3.330300       2.305300     -0.2522000    
 C   -3.064200       1.981400       1.057900    
 H  -0.2087000     -0.2511000     -0.1855000    
 H    2.263900      -1.743000      -1.480600    
 H    3.070000      -1.938000      3.4800000E-02
 H   -1.477600      -1.579000       1.459100    
 H   -1.583100      -2.938900      0.3537000    
 H   0.8373000     -0.5933000       1.925200    
 H   0.3459000      -2.276000       2.292900    
 H    2.064300      -1.912100       2.096000    
 H    1.855400      -3.874900      0.4941000    
 H   9.8700002E-02  -3.920600      0.6386000    
 H   0.8895000      -3.744500     -0.9831000    
 H  -0.6351000      -2.705100      -1.998500    
 H   0.6027000      -1.511700      -2.398100    
 H   -1.051300      -1.042700      -2.301300    
 H   -2.990000      -1.668900      -1.192400    
 H   -3.665100      -1.820400      0.4189000    
 H    1.307800      0.5648000      -2.077600    
 H    3.557500     -0.1178000       1.547200    
 H   -3.463800      0.9439000      -2.030300    
 H    1.586200       2.983700      -1.786600    
 H    3.832300       2.315900       1.815100    
 H    2.852700       3.874000      0.1517000    
 H   -3.520600       3.295700     -0.6398000    
 H   -2.979300       2.557000       1.968000    


%chk=000032976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000032976

1 1
O -2.236611 0.773768 0.991572
N 0.965376 -2.069268 0.256099
C -0.377134 -1.550132 -0.402748
C 2.219993 -1.347473 -0.386410
C -1.626394 -2.010663 0.387613
C 0.970054 -1.780932 1.754917
C 1.149464 -3.566823 0.045452
C -0.468557 -1.936458 -1.889981
C -2.931036 -1.330985 -0.125296
C 2.290543 0.147666 -0.174552
C -2.864580 0.169476 -0.129681
C 1.685797 1.044149 -1.097102
C 3.032619 0.681415 0.913015
C -3.340194 1.161367 -0.970369
C 1.792960 2.439686 -0.917250
C 3.143350 2.077153 1.092020
C 2.517981 2.959052 0.180241
C -3.013458 2.439949 -0.365703
C -2.348244 2.170821 0.814290
H -0.289057 -0.453888 -0.303194
H 2.193062 -1.610588 -1.454552
H 3.083725 -1.858902 0.072805
H -1.532074 -1.739641 1.451584
H -1.759734 -3.107464 0.321083
H 0.661828 -0.740350 1.928473
H 0.285974 -2.471639 2.266426
H 1.991287 -1.936091 2.135276
H 2.032596 -3.899195 0.613491
H 0.258731 -4.100430 0.407188
H 1.300864 -3.774313 -1.023154
H -0.726488 -3.000126 -2.033656
H 0.442215 -1.712839 -2.469690
H -1.275508 -1.338300 -2.345635
H -3.193074 -1.675944 -1.140492
H -3.752220 -1.674045 0.535019
H 1.149407 0.658619 -1.972961
H 3.549036 0.008935 1.609611
H -3.881336 1.007356 -1.902546
H 1.325909 3.119219 -1.637056
H 3.726434 2.475454 1.928402
H 2.610469 4.041758 0.313733
H -3.254571 3.425643 -0.758164
H -1.919705 2.782202 1.603283


