%chk=000049532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049532

0 1
 N   -3.190200     -0.5008000     -0.8214000    
 N   0.5723000     -9.2399999E-02 -0.7096000    
 C   -1.851900     -0.2115000     -0.2584000    
 C   -4.244200     -0.5323000      0.2173000    
 C   -1.817800       1.069300      0.5931000    
 C   -4.251400      0.7219000       1.109100    
 C   -2.877600       1.040100       1.688700    
 C  -0.7425000     -0.1764000      -1.317300    
 C   -4.146100      -1.818400       1.050500    
 C   -3.571600      0.3812000      -1.927500    
 C    1.338700      -1.177500     -0.3575000    
 C    1.218500       1.082700     -0.4096000    
 C    2.523000     -0.6848000      0.1910000    
 C    2.447200      0.7440000      0.1578000    
 C    1.074200      -2.546100     -0.4821000    
 C   0.8109000       2.408500     -0.5967000    
 C    3.493500      -1.605800      0.6385000    
 C    3.313900       1.782300      0.5592000    
 C    2.050700      -3.438600     -3.1800002E-02
 C    1.686800       3.419200     -0.1919000    
 C    3.243200      -2.977600      0.5206000    
 C    2.920400       3.113000      0.3780000    
 H   -1.604500      -1.046700      0.4102000    
 H   -5.223600     -0.5914000     -0.2772000    
 H   -1.981200       1.956400     -2.7700000E-02
 H  -0.8656000       1.181500       1.116100    
 H   -4.973400      0.6017000       1.925700    
 H   -4.594200       1.582900      0.5213000    
 H   -2.907000       2.006400       2.204900    
 H   -2.608700      0.2899000       2.441800    
 H  -0.8449000      0.6757000      -1.998100    
 H  -0.7687000      -1.074400      -1.945200    
 H   -5.004500      -1.897400       1.727000    
 H   -4.158500      -2.701800      0.4021000    
 H   -3.241800      -1.863200       1.664000    
 H   -4.569300      0.1225000      -2.300800    
 H   -2.902900      0.2529000      -2.784500    
 H   -3.580600       1.439400      -1.648700    
 H   0.1474000      -2.918200     -0.9054000    
 H  -0.1298000       2.668700      -1.067500    
 H    4.428500      -1.261700       1.071500    
 H    4.279400       1.559500       1.004600    
 H    1.875000      -4.508200     -0.1130000    
 H    1.403300       4.459300     -0.3308000    
 H    3.988600      -3.689700      0.8647000    
 H    3.586500       3.915200      0.6842000    


%chk=000049532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049532

0 1
N -3.173199 -0.490450 -0.837716
N 0.569319 0.105782 -0.679441
C -1.894178 -0.053808 -0.191577
C -4.241597 -0.766591 0.184521
C -2.065086 1.199854 0.711265
C -4.466879 0.448714 1.139163
C -3.145647 0.931614 1.787272
C -0.778216 0.104697 -1.257451
C -3.955718 -2.078405 0.950159
C -3.648232 0.387418 -1.933441
C 1.267995 -1.048536 -0.274207
C 1.390160 1.229853 -0.455215
C 2.563817 -0.663300 0.216998
C 2.642636 0.787814 0.100627
C 0.858430 -2.399510 -0.318904
C 1.131012 2.596074 -0.702169
C 3.457038 -1.659152 0.675444
C 3.643736 1.738860 0.405478
C 1.770139 -3.374263 0.141713
C 2.148118 3.524904 -0.392684
C 3.054794 -3.011491 0.636045
C 3.392587 3.104867 0.155624
H -1.581119 -0.892126 0.462134
H -5.173626 -0.927574 -0.393652
H -2.359920 2.072514 0.091426
H -1.099454 1.454005 1.187607
H -5.203122 0.175741 1.920131
H -4.910192 1.284131 0.560251
H -3.329530 1.845676 2.383264
H -2.770336 0.166545 2.496566
H -0.905968 1.041391 -1.827944
H -0.862437 -0.737200 -1.971714
H -4.828135 -2.352208 1.571573
H -3.764866 -2.895100 0.232680
H -3.083100 -2.002044 1.622739
H -4.579838 -0.039046 -2.346625
H -2.909901 0.407190 -2.753899
H -3.861627 1.444408 -1.641733
H -0.127592 -2.690167 -0.696436
H 0.176024 2.936549 -1.115503
H 4.449050 -1.387503 1.053512
H 4.603404 1.420721 0.828164
H 1.481493 -4.431242 0.118888
H 1.973511 4.591087 -0.576589
H 3.736213 -3.793758 0.987578
H 4.159537 3.852364 0.385279


