%chk=000033071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033071

0 1
 O   -1.466400       3.188500      6.0199998E-02
 N   -4.113800     -0.1407000     -0.1094000    
 N   -3.062200      0.6131000     -0.4962000    
 C   -6.290000      -2.096600      8.0000004E-03
 C   -5.008500      -2.267100      0.8136000    
 C   -6.546200     -0.6202000     -0.2659000    
 C   -3.830800      -1.557700      0.1462000    
 C   -5.329800      4.6300001E-02 -0.9070000    
 C   -2.443700       1.138800      0.5021000    
 C   -1.256000       1.995300      0.2198000    
 C   9.3400002E-02   1.394000      0.1542000    
 C    2.616900      0.2698000      3.3799998E-02
 C    3.937100     -0.3186000     -2.9300001E-02
 C   0.2343000      3.3599999E-02  0.3578000    
 C    1.180600       2.207300     -0.1077000    
 C    1.507300     -0.5335000      0.2970000    
 C    2.453400       1.640200     -0.1685000    
 C    4.715400     -0.4096000       1.124700    
 C    4.432100     -0.7941000      -1.243600    
 C    5.988500     -0.9763000       1.064300    
 C    5.705100      -1.360800      -1.303900    
 C    6.483400      -1.452000     -0.1500000    
 H   -6.202600      -2.637800     -0.9420000    
 H   -7.136500      -2.531000      0.5510000    
 H   -5.155200      -1.862400       1.823200    
 H   -4.782100      -3.333200      0.9267000    
 H   -7.416800     -0.5114000     -0.9227000    
 H   -6.789800     -0.1108000      0.6752000    
 H   -2.959900      -1.653600      0.8057000    
 H   -3.574500      -2.063000     -0.7939000    
 H   -5.178600     -0.3475000      -1.920400    
 H   -5.540800       1.118000      -1.009500    
 H   -2.702400       1.017500       1.568600    
 H  -0.6053000     -0.6203000      0.5681000    
 H    1.072300       3.276000     -0.2677000    
 H    1.617500      -1.603400      0.4579000    
 H    3.307800       2.280700     -0.3747000    
 H    4.345000     -4.3699998E-02   2.079400    
 H    3.838600     -0.7307000      -2.152700    
 H    6.594600      -1.047400       1.962700    
 H    6.090600      -1.731200      -2.249400    
 H    7.474700      -1.893300     -0.1970000    


%chk=000033071-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033071

0 1
O -1.134577 2.378298 2.623839
N -3.975199 -0.580552 0.337279
N -2.723142 -0.129710 0.618297
C -6.534796 -1.765463 -0.414648
C -6.455124 -0.322756 0.130258
C -5.243885 -2.096980 -1.196408
C -5.207332 -0.104295 1.015727
C -4.008016 -1.920917 -0.294115
C -2.506249 0.888292 1.445701
C -1.166856 1.435382 1.753643
C 0.120637 0.959699 1.133408
C 2.680776 0.201447 0.069782
C 4.006987 -0.195845 -0.481404
C 0.219087 -0.001734 0.090170
C 1.323168 1.535102 1.632150
C 1.476331 -0.367833 -0.428142
C 2.574655 1.163826 1.114543
C 5.163097 -0.230560 0.347595
C 4.155125 -0.552269 -1.851234
C 6.419306 -0.608122 -0.172029
C 5.410726 -0.929589 -2.372573
C 6.550691 -0.959863 -1.535695
H -6.654081 -2.479264 0.426374
H -7.422723 -1.879488 -1.063234
H -6.419661 0.385917 -0.719565
H -7.353133 -0.075236 0.726913
H -5.265077 -3.137080 -1.571798
H -5.159305 -1.427336 -2.074120
H -5.100412 0.972636 1.231838
H -5.323582 -0.631096 1.989899
H -4.017472 -2.701391 0.500025
H -3.067237 -2.029123 -0.857407
H -3.298190 1.412678 2.004735
H -0.693333 -0.461671 -0.294032
H 1.238133 2.285272 2.425308
H 1.527619 -1.133644 -1.210628
H 3.480272 1.646559 1.498978
H 5.070299 0.009445 1.412714
H 3.287203 -0.502317 -2.518524
H 7.293583 -0.636492 0.488087
H 5.502286 -1.190336 -3.433050
H 7.526102 -1.252391 -1.939958


