%chk=000004352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004352

0 1
 O   -2.625900     -0.3708000      0.6290000    
 O   -1.370400      0.1966000      -1.208500    
 N  -0.5307000      -1.178200      0.4624000    
 N    6.514600       1.152600      0.1902000    
 C    3.167200     -0.6202000     -0.2014000    
 C    1.777700     -0.3633000      0.3821000    
 C   -3.713600      0.4089000      0.1193000    
 C    4.182200      0.4076000      0.3036000    
 C   0.7757000      -1.410000     -9.0300001E-02
 C    5.561000      0.1697000     -0.3102000    
 C   -3.253600       1.860400     -8.6000003E-03
 C   -4.120800     -0.1556000      -1.241100    
 C   -4.866200      0.2965000       1.114600    
 C   -1.497300     -0.3941000     -0.1410000    
 H    3.501300      -1.628500      7.1599998E-02
 H    3.116900     -0.5814000      -1.296400    
 H    1.827200     -0.3723000       1.478200    
 H    1.433900      0.6375000      9.2399999E-02
 H    4.244800      0.3496000       1.397700    
 H    3.833800       1.417600      5.3300001E-02
 H   0.7057000      -1.404300      -1.183700    
 H    1.088000      -2.410900      0.2259000    
 H    5.511200      0.2426000      -1.401900    
 H    5.920700     -0.8350000     -6.3800000E-02
 H   -2.602900       2.058200     -0.8640000    
 H   -4.116600       2.525300     -0.1335000    
 H   -2.711300       2.179800      0.8890000    
 H   -3.455000      0.1154000      -2.064200    
 H   -5.110600      0.2187000      -1.528900    
 H   -4.172100      -1.250200      -1.212700    
 H   -5.741000      0.8707000      0.7927000    
 H   -5.166800     -0.7497000       1.244100    
 H   -4.561100      0.6554000       2.104300    
 H  -0.7577000      -1.609300       1.353400    
 H    6.182500       2.092200     -2.5000000E-02
 H    6.560200       1.098600       1.207200    


%chk=000004352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004352

0 1
O -2.663279 -0.333778 0.543769
O -1.316231 0.172829 -1.354614
N -0.561584 -1.162103 0.418942
N 6.766479 1.089516 0.206185
C 3.239991 -0.601054 -0.162224
C 1.832928 -0.360453 0.428595
C -3.873037 0.445361 0.054481
C 4.295337 0.403776 0.353775
C 0.791422 -1.366000 -0.117450
C 5.709246 0.160630 -0.242079
C -3.502372 1.935689 -0.089591
C -4.380259 -0.165959 -1.267702
C -4.877972 0.223198 1.198795
C -1.494577 -0.385148 -0.237242
H 3.571558 -1.634235 0.076248
H 3.187151 -0.539308 -1.269407
H 1.875890 -0.431764 1.534834
H 1.493838 0.664920 0.184221
H 4.355929 0.346204 1.461182
H 3.973412 1.437800 0.109821
H 0.725674 -1.266151 -1.215499
H 1.109892 -2.401870 0.110358
H 5.652846 0.215112 -1.347000
H 6.034408 -0.870529 0.000150
H -2.763361 2.079342 -0.893350
H -4.409419 2.520341 -0.329929
H -3.084447 2.321556 0.857455
H -3.640217 -0.029991 -2.071889
H -5.323907 0.328061 -1.563827
H -4.580351 -1.244923 -1.140925
H -5.826786 0.741821 0.972527
H -5.086654 -0.852919 1.327866
H -4.478059 0.617868 2.148826
H -0.816999 -1.530770 1.335200
H 6.623091 2.059239 -0.093891
H 6.971418 1.033792 1.209191


