%chk=000047277.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047277

1 1
 O   0.1584000      -2.828600       1.064600    
 N   -3.401800     -0.4812000     -0.9279000    
 N   0.2414000     -0.5661000       1.592400    
 C   -2.305800     -5.2700002E-02 -2.1500001E-02
 C  -0.9343000     -0.5563000     -0.5235000    
 C   0.3606000     -5.8499999E-02  0.2201000    
 C   -2.615100     -0.6062000       1.367100    
 C   -4.752900      5.9400000E-02 -0.4411000    
 C   -3.164000      3.8300000E-02  -2.352000    
 C   -3.492400      -2.011800     -0.9862000    
 C   0.4343000       1.490200      0.2996000    
 C    1.652700     -0.5490000     -0.4693000    
 C  -7.8599997E-02   2.206300     -0.7436000    
 C    2.735100     -0.8349000      0.3187000    
 C    1.008200       2.043900       1.407900    
 C    1.648700     -0.6722000      -1.832900    
 C   0.1521000      -1.905600       1.874800    
 C  -1.2100000E-02   3.597800     -0.6724000    
 C    3.902300      -1.277500     -0.3039000    
 C    1.074800       3.435500       1.479200    
 C    2.815800      -1.114900      -2.455600    
 C   0.5647000       4.212300      0.4390000    
 C    3.942500      -1.417500      -1.691000    
 C   6.5300003E-02  -2.150900       3.357400    
 H   -2.340800       1.040600      1.6400000E-02
 H  -0.9202000      -1.647600     -0.5677000    
 H  -0.8612000     -0.2566000      -1.564500    
 H   -3.638600     -0.4369000       1.706600    
 H   -2.411800      -1.674400       1.472700    
 H   -2.036300     -6.8300001E-02   2.122700    
 H   -5.120500     -0.5348000      0.3984000    
 H   -4.635700       1.114200     -0.1766000    
 H   -5.476500     -3.8500000E-02  -1.257200    
 H   -2.923200       1.103700      -2.298600    
 H   -2.370600     -0.5373000      -2.834600    
 H   -4.082700     -0.1072000      -2.929500    
 H   -2.580600      -2.433000      -1.412500    
 H   -3.713900      -2.423700     -9.9999997E-05
 H   -4.325600      -2.258300      -1.654500    
 H   9.7999997E-02  7.3299997E-02   2.368000    
 H  -0.5043000       1.772200      -1.638200    
 H    2.743200     -0.7158000       1.396500    
 H    1.466800       1.483600       2.214300    
 H   0.8223000     -0.4184000      -2.481400    
 H  -0.4019000       4.203000      -1.485800    
 H    4.781600      -1.507900      0.2906000    
 H    1.535600       3.914500       2.338200    
 H    2.851100      -1.215800      -3.536600    
 H   0.6209000       5.295600      0.4924000    
 H    4.852200      -1.759000      -2.176200    
 H  -5.3599998E-02  -3.221400       3.546500    
 H   0.9819000      -1.804200       3.843100    
 H  -0.7937000      -1.622600       3.779800    


%chk=000047277-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047277

1 1
O -0.787785 -2.543771 1.446030
N -3.469552 -0.776835 -0.820942
N 0.498820 -0.574383 1.571071
C -2.316001 0.074678 -0.108180
C -0.937852 -0.492861 -0.547112
C 0.347359 0.019558 0.197769
C -2.577126 0.142146 1.403575
C -4.783323 0.000225 -0.766706
C -3.144496 -1.007093 -2.296216
C -3.658624 -2.134334 -0.133381
C 0.293526 1.565486 0.291420
C 1.607335 -0.459132 -0.600790
C 0.250712 2.317020 -0.914375
C 1.679042 -1.790353 -1.093913
C 0.269598 2.268218 1.520775
C 2.748108 0.373050 -0.734898
C 0.076849 -1.812688 2.035748
C 0.182508 3.725375 -0.890864
C 2.847906 -2.263275 -1.727514
C 0.209520 3.682136 1.547820
C 3.920268 -0.102834 -1.364676
C 0.163800 4.416998 0.343925
C 3.974285 -1.420412 -1.869307
C 0.720341 -2.261544 3.341219
H -2.446643 1.084515 -0.544559
H -0.948444 -1.587956 -0.458153
H -0.770780 -0.225735 -1.603660
H -3.563256 0.572767 1.646412
H -2.468778 -0.838340 1.890284
H -1.828112 0.816574 1.843951
H -5.034670 0.234977 0.275491
H -4.676352 0.931345 -1.344337
H -5.581153 -0.620421 -1.203636
H -2.884085 -0.045999 -2.765887
H -2.308089 -1.711533 -2.389623
H -4.035344 -1.429990 -2.786527
H -2.678378 -2.578004 0.098791
H -4.212457 -1.988311 0.804618
H -4.237782 -2.785604 -0.806642
H 1.281421 -0.163900 2.089615
H 0.306990 1.800655 -1.880402
H 0.838085 -2.480448 -0.966479
H 0.289358 1.725623 2.472526
H 2.728332 1.399245 -0.354841
H 0.161409 4.284203 -1.832613
H 2.883041 -3.291844 -2.102301
H 0.199595 4.204481 2.510326
H 4.789478 0.556691 -1.458737
H 0.121524 5.510769 0.364621
H 4.881723 -1.788376 -2.359201
H -0.051636 -2.695941 3.996516
H 1.450276 -3.062329 3.123259
H 1.241309 -1.453688 3.882810


