%chk=000044617.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044617

0 1
 N  -0.5651000      -1.231700      0.2554000    
 N    4.263100       1.442400     -0.1883000    
 C   -1.451400     -0.2003000      0.1370000    
 C  -0.7422000      0.9720000     -2.2399999E-02
 C   -2.930200     -0.3340000      0.2044000    
 C   -1.413300       2.291600     -0.1961000    
 C   -3.592400      0.9576000     -0.3107000    
 C   -2.894500       2.222500      0.2242000    
 C   0.6411000      0.6369000     -7.8999996E-03
 C   0.7236000     -0.7488000      0.1687000    
 C  -0.9179000      -2.621900      0.4523000    
 C    1.835600       1.375500     -0.1295000    
 C    1.945100      -1.429000      0.2322000    
 C    3.063400      0.7067000     -6.7900002E-02
 C   -1.079900      -3.365800     -0.8622000    
 C    3.114900     -0.6739000      0.1107000    
 H   -3.288200      -1.181600     -0.3887000    
 H   -3.228500     -0.5028000       1.246000    
 H  -0.9024000       3.064100      0.3893000    
 H   -1.349600       2.582100      -1.251800    
 H   -3.558200      0.9724000      -1.407800    
 H   -4.650100      0.9643000     -2.4200000E-02
 H   -2.963200       2.228600       1.319700    
 H   -3.416700       3.117000     -0.1339000    
 H  -0.1470000      -3.093100       1.070700    
 H   -1.846600      -2.663300       1.031300    
 H    1.797700       2.453000     -0.2687000    
 H    1.999100      -2.504100      0.3655000    
 H   -1.859700      -2.914100      -1.483700    
 H   -1.354600      -4.408600     -0.6757000    
 H  -0.1489000      -3.357300      -1.438700    
 H    4.073900      -1.185800      0.1566000    
 H    5.154600      0.9669000     -0.1456000    
 H    4.230800       2.444700     -0.3187000    


%chk=000044617-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044617

0 1
N -0.600484 -1.275715 0.314426
N 4.287710 1.445484 -0.232099
C -1.488262 -0.190679 0.167824
C -0.765008 0.989767 -0.026240
C -2.989494 -0.295056 0.234409
C -1.425404 2.337819 -0.194586
C -3.620990 1.016849 -0.309052
C -2.910255 2.273098 0.254983
C 0.640061 0.639701 -0.016323
C 0.715404 -0.783406 0.193549
C -0.963946 -2.689875 0.456033
C 1.833818 1.392474 -0.157850
C 1.955651 -1.450898 0.254800
C 3.085724 0.729973 -0.094225
C -0.979851 -3.452666 -0.889894
C 3.132297 -0.689825 0.111622
H -3.363946 -1.159253 -0.351429
H -3.323985 -0.460646 1.281408
H -0.890519 3.111545 0.392321
H -1.374868 2.667506 -1.254605
H -3.543247 1.025946 -1.414568
H -4.698257 1.039357 -0.056551
H -2.957214 2.245995 1.362466
H -3.443992 3.186305 -0.071306
H -0.247371 -3.166856 1.151454
H -1.957617 -2.747683 0.935065
H 1.792880 2.477350 -0.316922
H 2.022598 -2.533991 0.409087
H -1.722336 -3.013815 -1.579853
H -1.237446 -4.516109 -0.730233
H 0.008612 -3.402528 -1.378835
H 4.108484 -1.188999 0.156622
H 5.183349 0.971513 -0.181125
H 4.280202 2.449519 -0.378875


