%chk=000042717.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042717

0 1
 N   0.4746000      0.8978000     -0.3007000    
 N   -1.254700      -1.401900     -0.2642000    
 C   -1.197400      0.3838000       1.506600    
 C   -2.000600      0.9516000     -0.7455000    
 C   -2.262100       1.172000      0.7442000    
 C   0.1970000      0.9427000       1.142300    
 C  -0.6012000       1.506800      -1.096500    
 C   -1.352100      -1.118200       1.175100    
 C   -2.150900     -0.5536000      -1.063500    
 C    1.766700       1.504800     -0.6086000    
 C   -1.483700      -2.817500     -0.5395000    
 C    2.891400      0.7405000      8.7700002E-02
 C    2.917100     -0.7246000     -0.3496000    
 C    4.055900      -1.484000      0.3121000    
 H   -1.354700      0.5187000       2.583900    
 H   -2.748400       1.504800      -1.326900    
 H   -3.267600      0.8288000       1.016300    
 H   -2.207500       2.238500      0.9937000    
 H   0.2700000       1.974200       1.512400    
 H   0.9185000      0.3423000       1.705000    
 H  -0.4124000       1.327300      -2.162300    
 H  -0.6091000       2.595400     -0.9501000    
 H  -0.5731000      -1.676500       1.709200    
 H   -2.319400      -1.464700       1.563600    
 H   -3.196500     -0.8447000     -0.8944000    
 H   -1.943000     -0.7080000      -2.129500    
 H    1.795900       2.559300     -0.3063000    
 H    1.944600       1.475600      -1.691200    
 H  -0.7630000      -3.437000      5.7999999E-03
 H   -1.338500      -3.031100      -1.604200    
 H   -2.494100      -3.135200     -0.2584000    
 H    2.851600      0.8301000       1.178000    
 H    3.841700       1.207100     -0.2041000    
 H    3.030200     -0.7876000      -1.438400    
 H    1.980100      -1.229700     -9.1700003E-02
 H    4.058700      -2.527500     -1.8300001E-02
 H    5.024000      -1.043500      5.3100001E-02
 H    3.953200      -1.472900       1.401900    


%chk=000042717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042717

0 1
N 0.471243 1.044461 -0.165792
N -1.246857 -1.430947 -0.156475
C -1.306807 0.450830 1.527497
C -1.961467 0.907355 -0.817524
C -2.352875 1.178797 0.652972
C 0.091741 1.062095 1.259029
C -0.571375 1.536304 -1.086210
C -1.410441 -1.072359 1.266264
C -2.052872 -0.615442 -1.088846
C 1.810919 1.600570 -0.438535
C -1.401861 -2.872681 -0.394759
C 2.962219 0.711274 0.088228
C 2.940534 -0.711980 -0.512738
C 4.019435 -1.635410 0.092138
H -1.531287 0.612083 2.601106
H -2.681013 1.402311 -1.500411
H -3.371835 0.798489 0.863905
H -2.349888 2.266521 0.862940
H 0.085961 2.112297 1.668381
H 0.852093 0.501554 1.835078
H -0.248961 1.309068 -2.121674
H -0.696378 2.654404 -1.022479
H -0.636058 -1.611439 1.847913
H -2.409424 -1.410706 1.663371
H -3.143034 -0.895983 -1.038213
H -1.712768 -0.837073 -2.120085
H 1.923606 2.638098 -0.020511
H 1.914978 1.689622 -1.538539
H -0.705466 -3.437185 0.252265
H -1.157610 -3.108080 -1.446908
H -2.440193 -3.249393 -0.190876
H 2.919849 0.644752 1.194373
H 3.924049 1.211303 -0.150341
H 3.085776 -0.639765 -1.610758
H 1.929106 -1.136535 -0.363602
H 3.988358 -2.643914 -0.360995
H 5.036299 -1.226375 -0.065537
H 3.873506 -1.753021 1.183349


