%chk=000049403.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049403

0 1
 N    4.287800      -1.323200     -0.1298000    
 C  -0.4225000     -0.3868000     -4.1800000E-02
 C    1.955500     -0.7586000     -0.7732000    
 C   -2.964900       1.221100     -0.8703000    
 C   -1.680700       1.769400      -1.494000    
 C   -1.807600     -0.9045000      0.1158000    
 C  -2.6000001E-02   1.006300      0.2527000    
 C   -2.953800     -0.1704000     -0.2622000    
 C  -0.6309000       2.060100     -0.4523000    
 C   0.5265000      -1.183600     -0.5707000    
 C    2.881600      -1.670600      5.0500002E-02
 C    2.288300     -0.7967000      -2.267900    
 C   -1.981800      -2.168800      0.7214000    
 C   0.9400000       1.288500       1.230600    
 C   -4.226800     -0.7370000     -2.8400000E-02
 C  -0.2540000       3.381200     -0.1727000    
 C   -3.249700      -2.710200      0.9318000    
 C    1.305800       2.607000       1.499600    
 C   -4.374600      -1.993800      0.5545000    
 C   0.7103000       3.652000      0.7981000    
 C    5.144300      -2.240000      0.6234000    
 C    4.533000      5.8600001E-02  0.2848000    
 H    2.129900      0.2764000     -0.5043000    
 H   -3.721400       1.224200      -1.667100    
 H   -3.316200       1.917000     -9.6199997E-02
 H   -1.923800       2.694300      -2.032500    
 H   -1.279600       1.082000      -2.249500    
 H   0.2864000      -2.202100     -0.8708000    
 H    2.602300      -1.623800       1.112300    
 H    2.727900      -2.710800     -0.2688000    
 H    1.586700     -0.1778000      -2.839600    
 H    3.294100     -0.4156000      -2.472200    
 H    2.231000      -1.817100      -2.664000    
 H   -1.122500      -2.749500       1.052900    
 H    1.398500      0.4921000       1.812200    
 H   -5.124600     -0.1858000     -0.3029000    
 H  -0.7118000       4.209900     -0.7070000    
 H   -3.354000      -3.685600       1.397500    
 H    2.051100       2.818500       2.260700    
 H   -5.365900      -2.404500      0.7200000    
 H   0.9942000       4.678900       1.009100    
 H    4.958700      -2.187400       1.702500    
 H    6.201700      -2.015800      0.4435000    
 H    4.985100      -3.273400      0.2956000    
 H    5.610600      0.2644000      0.2975000    
 H    4.147200      0.2698000       1.288700    
 H    4.122100      0.7856000     -0.4215000    


%chk=000049403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049403

0 1
N 4.379889 -1.345511 -0.091376
C -0.400275 -0.297051 -0.135115
C 2.026562 -0.804117 -0.895318
C -3.059583 1.269312 -0.941685
C -1.751525 1.859877 -1.524082
C -1.797781 -0.816810 0.075214
C -0.104412 1.123279 0.252210
C -2.992040 -0.108430 -0.271534
C -0.748202 2.190755 -0.436007
C 0.571282 -1.131241 -0.625060
C 2.933615 -1.610154 0.085523
C 2.395943 -1.126834 -2.365088
C -1.925993 -2.100753 0.686170
C 0.806900 1.419974 1.297233
C -4.246622 -0.719090 0.000464
C -0.460534 3.527133 -0.069816
C -3.178031 -2.690078 0.943423
C 1.084413 2.757205 1.659907
C -4.356124 -1.989542 0.598115
C 0.449977 3.816653 0.972490
C 5.220909 -2.396139 0.516343
C 4.781294 0.003642 0.353924
H 2.187497 0.275462 -0.718794
H -3.808008 1.208761 -1.756938
H -3.468066 1.994497 -0.207398
H -2.005717 2.773544 -2.093104
H -1.314647 1.138047 -2.241594
H 0.269663 -2.153336 -0.905895
H 2.602201 -1.400936 1.137145
H 2.764466 -2.690557 -0.095116
H 1.844145 -0.474217 -3.065408
H 3.481098 -0.989953 -2.514219
H 2.149276 -2.178066 -2.611401
H -1.012216 -2.623209 0.989819
H 1.285063 0.594139 1.836439
H -5.159873 -0.175751 -0.275690
H -0.951932 4.346627 -0.608956
H -3.234564 -3.674790 1.420577
H 1.786910 2.969310 2.473750
H -5.342425 -2.424683 0.794106
H 0.660997 4.856770 1.245657
H 5.123280 -2.457589 1.630971
H 6.283659 -2.203971 0.281187
H 4.950842 -3.380926 0.095190
H 5.857443 0.153341 0.154098
H 4.604257 0.173005 1.447938
H 4.224489 0.776299 -0.202299


