%chk=000044743.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044743

0 1
 O   -4.286700      6.6900000E-02 -0.5167000    
 N    2.158000      0.4016000     -0.3576000    
 N    1.680100      -1.056700      -2.198500    
 C    3.598400      0.4378000     -0.5949000    
 C    1.692700       1.215400      0.7626000    
 C    4.303600     -0.6688000      0.1848000    
 C    1.481200       2.663400      0.3286000    
 C    1.270900     -0.3144000      -1.194000    
 C  -0.1721000     -0.2730000     -0.9739000    
 C    5.823300     -0.6419000      4.0000002E-03
 C    1.037300       3.566300       1.482300    
 C  -0.8325000      -1.185200     -0.1349000    
 C   -2.234200      -1.082800      3.1399999E-02
 C  -0.8833000      0.7257000      -1.639500    
 C   -2.934200     -7.1300000E-02 -0.6464000    
 C    6.501600      -1.713300      0.8438000    
 C   0.8988000       5.012800       1.033500    
 C   -2.261800      0.8265000      -1.476000    
 C  -0.1326000      -2.196800      0.5428000    
 C   -2.894800      -1.994900      0.8704000    
 C  -0.8051000      -3.094400       1.372500    
 C   -2.183500      -2.993700       1.536100    
 C   -4.761400       1.305400      3.1999999E-03
 C   -6.063800       1.065600      0.7367000    
 H    3.837900      0.3846000      -1.662400    
 H    4.005800       1.404100     -0.2712000    
 H    2.432500       1.186200       1.572700    
 H   0.7745000      0.8137000       1.203200    
 H    3.917200      -1.645500     -0.1331000    
 H    4.065800     -0.5769000       1.252000    
 H   0.7376000       2.715600     -0.4732000    
 H    2.410600       3.062800     -9.5700003E-02
 H    6.214500      0.3405000      0.2927000    
 H    6.073400     -0.7947000      -1.052200    
 H    1.767000       3.512300       2.298400    
 H   7.7799998E-02   3.215100       1.878900    
 H  -0.3757000       1.428100      -2.296000    
 H    6.297300      -1.565200       1.908900    
 H    7.585800      -1.679000      0.6979000    
 H    6.152100      -2.711700      0.5621000    
 H    1.852500       5.402200      0.6630000    
 H   0.5782000       5.640200       1.871000    
 H   0.1557000       5.105900      0.2351000    
 H   -2.800500       1.603700      -2.011100    
 H   0.9442000      -2.310900      0.4445000    
 H   -3.971000      -1.943900       1.020400    
 H    2.697800      -1.057500      -2.270500    
 H  -0.2521000      -3.872000       1.891300    
 H   -2.706100      -3.692800       2.182400    
 H   -4.926900       2.001400     -0.8264000    
 H   -4.034300       1.747000      0.6963000    
 H   -6.808100      0.6225000      6.6699997E-02
 H   -5.917100      0.3593000       1.560600    
 H   -6.463700       2.000200       1.139800    


%chk=000044743-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044743

0 1
O -4.362063 -0.144113 -0.080925
N 2.191875 0.528083 0.000975
N 1.681202 -0.268856 -2.249333
C 3.652324 0.467167 -0.226802
C 1.727966 1.404141 1.104607
C 4.221931 -0.969042 -0.126725
C 1.768540 2.912692 0.758437
C 1.324808 0.097692 -1.028200
C -0.149974 0.031745 -0.720456
C 5.725907 -1.027450 -0.475374
C 1.346797 3.795861 1.954775
C -0.703487 -0.769169 0.351208
C -2.139671 -0.808103 0.543227
C -1.021738 0.716131 -1.572487
C -2.988983 -0.053053 -0.347942
C 6.311324 -2.449989 -0.343824
C 1.370743 5.303484 1.622488
C -2.435398 0.691122 -1.396850
C 0.112017 -1.565090 1.225959
C -2.696633 -1.606019 1.593694
C -0.454990 -2.342375 2.238495
C -1.870656 -2.359455 2.431251
C -5.287591 0.576817 -0.977084
C -6.700518 0.302205 -0.469972
H 3.920980 0.907044 -1.213139
H 4.137604 1.105329 0.533781
H 2.361046 1.208485 1.993181
H 0.698764 1.123917 1.380654
H 3.657629 -1.641375 -0.801355
H 4.062163 -1.345753 0.903371
H 1.093516 3.099398 -0.100719
H 2.789580 3.197252 0.430656
H 6.287041 -0.333799 0.184449
H 5.876182 -0.661445 -1.512016
H 2.019541 3.595981 2.814421
H 0.328278 3.504423 2.282509
H -0.594087 1.271659 -2.412934
H 6.208208 -2.827519 0.690794
H 7.385008 -2.471072 -0.605906
H 5.785508 -3.157066 -1.012320
H 2.384071 5.626589 1.317578
H 1.068578 5.914238 2.493002
H 0.680524 5.536172 0.790056
H -3.065183 1.253231 -2.091505
H 1.196512 -1.557595 1.077572
H -3.783172 -1.615921 1.716501
H 2.698377 -0.156473 -2.438838
H 0.188475 -2.947514 2.887201
H -2.305873 -2.970282 3.229869
H -5.150879 0.209325 -2.014706
H -5.051683 1.660625 -0.952143
H -6.917888 -0.779304 -0.489192
H -6.820908 0.663248 0.565725
H -7.439044 0.819276 -1.109288


