%chk=000029122.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029122

0 1
 N    2.458700       1.960700     -7.9999998E-02
 N   -1.421400      6.7900002E-02  0.8232000    
 N   -2.951200       2.252000     -0.2164000    
 N   -5.129200     -0.6011000      -1.049000    
 C    1.544100      0.3149000       1.095500    
 C   0.6629000     -0.4242000       2.022300    
 C    2.608900     -0.2284000      0.3236000    
 C  -0.6079000     -0.9962000       1.364800    
 C    3.166200      0.8250000     -0.4046000    
 C    1.476600       1.662300      0.8260000    
 C    3.153900      -1.519100      0.1741000    
 C    4.245500      0.6515000      -1.278200    
 C   -2.643500     -0.1383000      0.2046000    
 C    4.233700      -1.707700     -0.6963000    
 C    4.769500     -0.6376000      -1.410200    
 C   -3.405100      0.9239000     -0.3094000    
 C   -3.158800      -1.437600      7.4699998E-02
 C   -4.619100      0.6439000     -0.9158000    
 C   -4.383800      -1.612000     -0.5489000    
 H   0.3697000      0.2376000       2.848500    
 H    1.218300      -1.250100       2.483900    
 H  -0.3183000      -1.694400      0.5699000    
 H   -1.165000      -1.551000       2.129000    
 H   0.8215000       2.438300       1.197000    
 H    2.639500       2.881200     -0.4561000    
 H    2.747600      -2.364600      0.7219000    
 H   -1.143200       1.024000       1.001800    
 H    4.663300       1.483800      -1.834400    
 H    4.657900      -2.701100     -0.8159000    
 H    5.608100     -0.8067000      -2.080800    
 H   -2.636300      -2.314400      0.4419000    
 H   -5.241500       1.432700      -1.327800    
 H   -4.811500      -2.602200     -0.6666000    
 H   -2.055600       2.472600      0.1940000    
 H   -3.516000       3.000700     -0.5960000    


%chk=000029122-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029122

0 1
N 2.596457 2.164171 0.465537
N -1.273064 -0.146539 0.694345
N -2.316787 1.873273 -0.926074
N -5.225937 -0.509115 -0.855558
C 1.541155 0.354371 1.391948
C 0.623610 -0.481575 2.252463
C 2.471980 -0.116741 0.376531
C -0.543919 -1.146659 1.470998
C 3.119906 1.040456 -0.186483
C 1.649562 1.746767 1.413786
C 2.830295 -1.404743 -0.105299
C 4.096981 0.943824 -1.202156
C -2.542659 -0.322534 0.165132
C 3.804234 -1.508447 -1.116865
C 4.429643 -0.346808 -1.660528
C -3.103253 0.721934 -0.652062
C -3.343468 -1.476559 0.383094
C -4.430907 0.577280 -1.108539
C -4.656791 -1.519026 -0.135709
H 0.193931 0.150242 3.052764
H 1.193971 -1.288093 2.752675
H -0.149602 -1.946095 0.807362
H -1.220437 -1.635639 2.202305
H 1.135589 2.466808 2.049171
H 2.879291 3.127348 0.300318
H 2.361531 -2.306368 0.304619
H -0.840617 0.775758 0.603921
H 4.583582 1.832100 -1.620521
H 4.090742 -2.495097 -1.497164
H 5.183519 -0.461186 -2.447328
H -2.964725 -2.322803 0.963772
H -4.883527 1.373308 -1.716409
H -5.285662 -2.401036 0.033009
H -1.366115 1.718779 -1.272725
H -2.800009 2.654943 -1.370029


