%chk=000049559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049559

0 1
 N    4.055600      -1.347100     -0.4053000    
 C    2.631900      -1.677100     -0.2026000    
 C    2.338700      -1.800000       1.305100    
 C    2.757500     -0.5574000       2.085200    
 C    4.473500     -0.1206000      0.2828000    
 C    4.210200     -0.2088000       1.786100    
 C    1.635600     -0.7236000     -0.8807000    
 C    4.442800      -1.317300      -1.812900    
 C   0.2250000      -1.150600     -0.6376000    
 C  -0.8082000     -0.2921000     -0.5328000    
 C   -2.176600     -0.8211000     -0.2898000    
 C  -0.4757000       1.147800     -0.5653000    
 C   -2.758000      0.8930000       1.595200    
 C   -1.305200       1.318500       1.812500    
 C   -3.053400     -0.2791000      0.6760000    
 C  -0.7108000       1.936700      0.5729000    
 C   -2.635100      -1.882100      -1.102000    
 C   6.4599998E-02   1.736000      -1.719200    
 C   -4.349500     -0.8287000      0.7962000    
 C  -0.3941000       3.302200      0.5415000    
 C   -3.916000      -2.413900     -0.9558000    
 C   0.3749000       3.095500      -1.737700    
 C   -4.774500      -1.887400     -3.4000000E-03
 C   0.1468000       3.877300     -0.6083000    
 H    2.473200      -2.680100     -0.6247000    
 H    2.905100      -2.656700       1.697400    
 H    1.288600      -2.029400       1.513600    
 H    2.632300     -0.7330000       3.159600    
 H    2.111000      0.2885000       1.825300    
 H    3.976300      0.7640000     -0.1330000    
 H    5.551200      3.0700000E-02  0.1426000    
 H    4.468200      0.7431000       2.263800    
 H    4.864000     -0.9726000       2.226300    
 H    1.800200     -0.7437000      -1.964400    
 H    1.844500      0.2890000     -0.5313000    
 H   4.6799999E-02  -2.223800     -0.6010000    
 H    4.131800      -2.235500      -2.323200    
 H    5.533800      -1.266200      -1.903400    
 H    4.022600     -0.4598000      -2.349300    
 H   -3.335700       1.753100       1.230000    
 H   -3.157600      0.6400000       2.587100    
 H  -0.6879000      0.4739000       2.143900    
 H   -1.275800       2.048100       2.632000    
 H   -1.998300      -2.304500      -1.877700    
 H   0.2338000       1.149400      -2.619300    
 H   -5.045900     -0.4211000       1.527100    
 H  -0.5697000       3.928800       1.412300    
 H   -4.241400      -3.231100      -1.592300    
 H   0.7906000       3.545000      -2.634700    
 H   -5.775800      -2.290600      0.1132000    
 H   0.3872000       4.936300     -0.6234000    


%chk=000049559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049559

0 1
N 4.074378 -1.529737 -0.292009
C 2.616941 -1.712676 -0.056230
C 2.307192 -1.443870 1.437841
C 2.804203 -0.053149 1.893489
C 4.605380 -0.203953 0.103986
C 4.312369 0.091481 1.590159
C 1.703238 -0.863036 -1.023830
C 4.548952 -1.979149 -1.610115
C 0.237447 -1.162834 -0.832506
C -0.770081 -0.274654 -0.550208
C -2.179175 -0.770564 -0.371848
C -0.515315 1.202189 -0.469667
C -2.760164 0.710950 1.738056
C -1.281747 1.125464 1.941651
C -3.077042 -0.320764 0.648711
C -0.743240 1.897092 0.752079
C -2.648736 -1.747137 -1.301753
C -0.046571 1.919856 -1.599479
C -4.385791 -0.873710 0.693928
C -0.493816 3.288634 0.817562
C -3.947944 -2.284745 -1.237554
C 0.195945 3.310031 -1.526886
C -4.831008 -1.841872 -0.226467
C -0.026588 3.998393 -0.312568
H 2.395481 -2.781535 -0.262808
H 2.817007 -2.223484 2.036409
H 1.219123 -1.547778 1.608319
H 2.616696 0.079243 2.976361
H 2.236749 0.745203 1.374501
H 4.192101 0.625554 -0.526722
H 5.699369 -0.215054 -0.066708
H 4.668234 1.110077 1.838994
H 4.881592 -0.626353 2.212434
H 1.996576 -1.120516 -2.063846
H 1.900658 0.214369 -0.893177
H -0.026537 -2.232305 -0.865192
H 4.153386 -2.989936 -1.821054
H 5.653283 -2.040136 -1.603536
H 4.256685 -1.313280 -2.460891
H -3.348464 1.628894 1.529922
H -3.146687 0.314285 2.698129
H -0.669851 0.219025 2.119149
H -1.217236 1.746427 2.854625
H -1.977190 -2.058742 -2.109277
H 0.112682 1.381826 -2.540994
H -5.066946 -0.532608 1.484604
H -0.664159 3.818351 1.763124
H -4.272368 -3.027164 -1.975198
H 0.552189 3.850684 -2.410926
H -5.848972 -2.241506 -0.159279
H 0.160871 5.076119 -0.246707


