%chk=000044062.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044062

0 1
 N  -0.2907000       1.281700     -0.4282000    
 N   -4.710200      9.6299998E-02  -1.106900    
 C    3.283700      0.2903000      0.5681000    
 C    2.132100       1.069200     -0.1203000    
 C   0.7487000      0.5262000      0.2560000    
 C    3.260900      -1.205000      0.2653000    
 C    4.662900      0.8840000      0.3107000    
 C   -1.614800      0.7810000     -7.4900001E-02
 C   -2.741800       1.567600     -0.7754000    
 C   -4.084800       1.087500     -0.3993000    
 C   -4.922700       1.472000      0.6221000    
 C   -5.945200     -0.1707000     -0.5602000    
 C   -6.104100      0.6838000      0.5329000    
 C    2.549200      -2.040100       1.099200    
 C    5.640500      0.7393000       1.272800    
 C    3.953200      -1.669800     -0.8320000    
 C    4.890300       1.547900     -0.8768000    
 C    2.528400      -3.407100      0.8219000    
 C    6.903300       1.282800       1.036700    
 C    3.932500      -3.036800      -1.109000    
 C    6.153100       2.091600      -1.112800    
 C   -6.923500      -1.094000     -0.9455000    
 C   -7.297200      0.6154000       1.279400    
 C    3.219800      -3.905600     -0.2824000    
 C    7.159900       1.959000     -0.1563000    
 C   -8.098800      -1.143600     -0.1904000    
 C   -8.284800     -0.3030000      0.9054000    
 H    3.111800      0.4106000       1.649500    
 H    2.194500       2.133300      0.1436000    
 H    2.220600      0.9964000      -1.211800    
 H   0.6167000      0.5965000       1.342100    
 H   0.6574000     -0.5237000     -3.7900001E-02
 H   -1.700000     -0.2798000     -0.3447000    
 H   -1.758400      0.8518000       1.011100    
 H  -0.1588000       1.221100      -1.437300    
 H   -2.611400       1.503200      -1.863600    
 H   -2.653200       2.631400     -0.5187000    
 H   -4.324200     -0.3749000      -1.913700    
 H   -4.710100       2.237400       1.356400    
 H    2.011800      -1.663800       1.964300    
 H    5.450500      0.2134000       2.203600    
 H    4.496700      -1.027600      -1.514400    
 H    4.145000       1.660400      -1.654600    
 H    1.974300      -4.083400       1.466200    
 H    7.687200       1.179100       1.781200    
 H    4.465900      -3.424600      -1.971900    
 H    6.354500       2.614700      -2.043200    
 H   -6.779600      -1.748900      -1.798300    
 H   -7.455300       1.264700       2.135700    
 H    3.202500      -4.969700     -0.4990000    
 H    8.143400       2.381100     -0.3407000    
 H   -8.879000      -1.849500     -0.4632000    
 H   -9.207100     -0.3601000       1.477400    


%chk=000044062-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044062

0 1
N -0.340518 1.023501 -0.424099
N -4.706100 -0.232968 -0.707441
C 3.307992 0.192351 0.605886
C 2.116910 0.900501 -0.100771
C 0.744549 0.339470 0.316459
C 3.412052 -1.283396 0.181846
C 4.651956 0.916955 0.411968
C -1.703852 0.596644 -0.053605
C -2.758153 1.391904 -0.866650
C -4.179800 1.059822 -0.503545
C -5.180652 1.857159 0.054483
C -6.040375 -0.274955 -0.282941
C -6.368691 1.041689 0.205510
C 3.020701 -2.322419 1.062803
C 5.746358 0.560867 1.244771
C 3.884289 -1.633809 -1.109948
C 4.858614 1.915070 -0.572950
C 3.091699 -3.678082 0.666052
C 7.005014 1.181572 1.103026
C 3.952610 -2.985225 -1.512517
C 6.120323 2.538194 -0.722078
C -6.972404 -1.335054 -0.287760
C -7.678323 1.281398 0.699656
C 3.555539 -4.014495 -0.625791
C 7.198668 2.175678 0.114195
C -8.265096 -1.066886 0.209532
C -8.613499 0.227411 0.697514
H 3.088218 0.201599 1.694394
H 2.132469 1.982250 0.129777
H 2.229235 0.800003 -1.200864
H 0.585979 0.526268 1.398173
H 0.729579 -0.768876 0.176118
H -1.868513 -0.503838 -0.196771
H -1.852911 0.797552 1.024438
H -0.190856 0.956162 -1.442267
H -2.583611 1.209693 -1.949756
H -2.582682 2.467640 -0.696171
H -4.186081 -1.017525 -1.094779
H -5.069647 2.907041 0.321500
H 2.660134 -2.068855 2.068020
H 5.607408 -0.216707 2.006572
H 4.219537 -0.844183 -1.793494
H 4.036192 2.222394 -1.227208
H 2.787780 -4.467559 1.363022
H 7.833336 0.892399 1.759951
H 4.323615 -3.238138 -2.512510
H 6.257639 3.308833 -1.489491
H -6.710118 -2.331283 -0.662065
H -7.957591 2.271664 1.076766
H 3.614020 -5.063887 -0.935876
H 8.174890 2.660206 0.000382
H -9.014756 -1.866104 0.220842
H -9.627473 0.399356 1.075895


