%chk=000005587.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005587

0 1
 N   0.2815000      0.1855000      0.5368000    
 N    3.349900       2.214400      2.5699999E-02
 N   0.2748000      -2.132900       1.085500    
 C    1.083700       1.279000      4.2700000E-02
 C    2.515600       1.128800      0.5401000    
 C  -0.8485000      0.4878000       1.417100    
 C   0.5722000      -1.144400      0.2016000    
 C   -2.109700      0.6584000      0.6164000    
 C    3.331400       2.224300      -1.436600    
 C    4.720500       2.083400      0.5187000    
 C   -2.455000       1.916800      0.1410000    
 C   -2.914400     -0.4448000      0.3619000    
 C    1.159300      -1.387500      -1.037300    
 C   -3.625200       2.074900     -0.6016000    
 C   -4.084500     -0.2868000     -0.3808000    
 C    1.453700      -2.701300      -1.384400    
 C   -4.439900      0.9731000     -0.8627000    
 C   0.5754000      -3.397400      0.7136000    
 C    1.159200      -3.731300     -0.4978000    
 H   0.9844000       1.325200      -1.044800    
 H   0.6907000       2.239300      0.4026000    
 H    2.508600       1.163300       1.637800    
 H    2.950000      0.1610000      0.2635000    
 H  -0.6498000       1.403200       1.990700    
 H  -0.9879000     -0.2836000       2.185500    
 H    2.387300       2.610100      -1.832500    
 H    3.532800       1.236800      -1.867700    
 H    4.094000       2.912500      -1.822200    
 H    5.332500       2.929200      0.1861000    
 H    5.197400       1.157300      0.1773000    
 H    4.739200       2.097500       1.614200    
 H   -1.829700       2.782900      0.3384000    
 H   -2.650200      -1.430600      0.7336000    
 H    1.383300     -0.6110000      -1.759200    
 H   -3.902100       3.055900     -0.9766000    
 H   -4.719100      -1.144500     -0.5835000    
 H    1.907500      -2.923400      -2.345500    
 H   -5.351000       1.096200      -1.440800    
 H   0.3254000      -4.163700       1.439700    
 H    1.378600      -4.763000     -0.7477000    


%chk=000005587-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005587

0 1
N 0.337762 -0.289950 0.303051
N 2.967525 2.381300 -0.439947
N -0.122226 -2.558645 0.766333
C 1.019731 0.790541 -0.427671
C 2.344433 1.229801 0.250777
C -0.675618 0.105829 1.307567
C 0.639623 -1.633571 0.087287
C -1.938803 0.704800 0.694395
C 3.584094 2.019585 -1.733183
C 3.912198 3.116868 0.426556
C -2.402904 1.982905 1.090305
C -2.681331 -0.026011 -0.269486
C 1.687488 -2.050118 -0.801448
C -3.589441 2.523434 0.540986
C -3.864203 0.511088 -0.820958
C 1.910092 -3.424342 -0.990240
C -4.323318 1.788454 -0.416982
C 0.126827 -3.881206 0.573022
C 1.120656 -4.377047 -0.297189
H 1.194282 0.479176 -1.473669
H 0.345533 1.663978 -0.469738
H 2.110532 1.537782 1.287371
H 3.038094 0.353156 0.324238
H -0.224362 0.834409 2.011116
H -0.924865 -0.811591 1.868750
H 2.833733 1.580062 -2.412279
H 4.428462 1.290311 -1.626575
H 3.978434 2.929177 -2.220022
H 4.274310 4.017378 -0.101642
H 4.805639 2.512854 0.728366
H 3.395752 3.446238 1.345510
H -1.834482 2.557919 1.832838
H -2.326316 -1.016621 -0.575901
H 2.316575 -1.320576 -1.317256
H -3.936372 3.514448 0.855464
H -4.431651 -0.064221 -1.561586
H 2.705493 -3.753232 -1.668690
H -5.241744 2.205195 -0.845874
H -0.510415 -4.566263 1.145714
H 1.272686 -5.452695 -0.420510


