%chk=000050749.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050749

0 1
 O  -0.9785000       1.728500     -0.4214000    
 O   -1.066000       1.306500       1.839900    
 N    2.631900      0.9533000     -0.1254000    
 N   -5.834900      -2.222100     -0.5773000    
 C    5.675400      -1.319300      0.4311000    
 C    4.851300     -4.4300001E-02  0.1691000    
 C    3.343600     -0.2971000      0.1192000    
 C    1.195100      0.7283000     -0.1858000    
 C   0.4166000       2.028900     -0.3986000    
 C    5.366800      -2.366400     -0.6421000    
 C    7.179800      -1.046000      0.4669000    
 C   0.7598000       2.723400      -1.710400    
 C   -1.477600       1.146900      0.7012000    
 C   -2.622100      0.2628000      0.3653000    
 C   -3.623100      8.4299996E-02   1.297900    
 C   -2.648700     -0.3538000     -0.8690000    
 C   -4.697900     -0.7470000      0.9826000    
 C   -3.723400      -1.185100      -1.184400    
 C   -4.748200      -1.381700     -0.2586000    
 H    5.385800      -1.730900       1.406200    
 H    5.073400      0.6842000      0.9600000    
 H    5.177100      0.4122000     -0.7753000    
 H    3.104100     -0.9927000     -0.6911000    
 H    3.018800     -0.7467000       1.065200    
 H   0.9544000      3.4600001E-02  -1.002400    
 H   0.8770000      0.2301000      0.7362000    
 H    2.845400       1.621100      0.6149000    
 H   0.6101000       2.732000      0.4221000    
 H    4.350900      -2.760600     -0.5450000    
 H    5.487900      -1.956400      -1.650700    
 H    6.042000      -3.224500     -0.5482000    
 H    7.534700     -0.6560000     -0.4931000    
 H    7.418800     -0.3090000       1.240700    
 H    7.739000      -1.960500      0.6909000    
 H    1.806100       3.040800      -1.743000    
 H   0.5654000       2.064400      -2.563800    
 H   0.1277000       3.607700      -1.848500    
 H   -3.596800      0.5755000       2.266000    
 H   -1.857400     -0.2288000      -1.602000    
 H   -5.490500     -0.8917000       1.712300    
 H   -3.749700      -1.676500      -2.153700    
 H   -5.872200      -2.681900      -1.477300    
 H   -6.578400      -2.364500      9.3199998E-02


%chk=000050749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050749

0 1
O -0.942444 0.747286 -0.769505
O -1.126848 0.870743 1.560686
N 2.746868 0.464741 -0.058702
N -7.022627 -1.236748 -0.223613
C 6.277122 -1.067054 0.509248
C 5.156987 -0.008960 0.327015
C 3.779561 -0.596223 -0.040671
C 1.383749 0.004019 -0.397822
C 0.474509 1.224222 -0.668905
C 6.556336 -1.848996 -0.797763
C 7.571929 -0.395635 1.025525
C 0.787121 1.941373 -1.980173
C -1.643938 0.604328 0.441086
C -3.028094 0.126315 0.229607
C -3.861424 -0.068105 1.365138
C -3.557643 -0.144898 -1.061710
C -5.181159 -0.518041 1.222923
C -4.877325 -0.594970 -1.216083
C -5.713983 -0.790119 -0.074613
H 5.936834 -1.793741 1.278574
H 5.055878 0.563563 1.274277
H 5.455034 0.721309 -0.451621
H 3.814782 -1.046044 -1.051760
H 3.534213 -1.425971 0.671824
H 1.443410 -0.615055 -1.313698
H 0.917412 -0.621028 0.399027
H 2.746254 0.990914 0.827969
H 0.530256 1.913244 0.196514
H 5.673072 -2.420855 -1.135535
H 6.842755 -1.153786 -1.610956
H 7.386239 -2.566741 -0.658505
H 7.949110 0.342330 0.291037
H 7.396795 0.136961 1.979240
H 8.370455 -1.142104 1.193897
H 1.857715 2.210001 -1.988172
H 0.582753 1.280270 -2.841422
H 0.180370 2.856583 -2.089317
H -3.446115 0.143812 2.356186
H -2.919242 0.004810 -1.936958
H -5.811601 -0.663205 2.108611
H -5.273903 -0.799440 -2.218100
H -7.406327 -1.430378 -1.144289
H -7.621348 -1.376724 0.585309


