%chk=000093739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093739

0 1
 O   0.7592000       1.570300      0.4298000    
 O   -2.644500       1.824000      -1.445300    
 O   -1.211400      -1.583200      0.7794000    
 N   -1.079400      0.1390000     -0.8022000    
 N    2.408400     -4.0899999E-02  0.1342000    
 C   0.3050000     -0.1277000      -1.148600    
 C   0.4731000      0.4894000      -2.520900    
 C  -0.4822000       1.673700      -2.506000    
 C    1.170100      0.5477000     -0.1252000    
 C   -1.571700       1.246900      -1.550000    
 C    2.855200      -1.253200     -0.5471000    
 C    3.345900      0.5110000       1.103900    
 C    2.447400      -2.521600      0.1950000    
 C    4.306000       1.516900      0.4775000    
 C   -1.720300     -0.6369000      0.1817000    
 C    2.937300      -3.793400     -0.5012000    
 C    5.310200       2.078400       1.486700    
 C   -3.101100     -0.2786000      0.5369000    
 C    2.568700      -5.037600      0.2917000    
 C    6.291300       3.031400      0.8221000    
 C   -4.169700     -0.8533000     -0.1512000    
 C   -3.342800      0.6356000       1.562400    
 C   -5.480000     -0.5136000      0.1858000    
 C   -4.653100      0.9752000       1.899600    
 C   -5.721600      0.4005000       1.211200    
 H   0.4339000      -1.209500      -1.170900    
 H    1.499000      0.7921000      -2.752100    
 H   0.1503000     -0.2239000      -3.289700    
 H  -1.8000000E-03   2.575900      -2.114900    
 H  -0.8934000       1.873800      -3.498600    
 H    2.486800      -1.275800      -1.576800    
 H    3.948300      -1.213600     -0.6350000    
 H    2.768000       1.015000       1.887800    
 H    3.892300     -0.3077000       1.585700    
 H    1.359400      -2.567400      0.3118000    
 H    2.856700      -2.491300       1.212800    
 H    3.734500       2.340700      3.1500001E-02
 H    4.850000       1.038800     -0.3467000    
 H    4.025900      -3.754700     -0.6232000    
 H    2.499000      -3.858700      -1.503800    
 H    5.867200       1.257100       1.952200    
 H    4.777000       2.604800       2.286600    
 H    3.020700      -5.016300       1.288500    
 H    2.925300      -5.934800     -0.2238000    
 H    1.483300      -5.121100      0.4078000    
 H    5.768100       3.879600      0.3691000    
 H    6.864100       2.522900      3.9999999E-02
 H    6.998100       3.423000       1.560300    
 H   -3.992500      -1.566300     -0.9522000    
 H   -2.517300       1.089800       2.104300    
 H   -6.312000     -0.9607000     -0.3503000    
 H   -4.841400       1.687200       2.697700    
 H   -6.741800      0.6650000       1.473500    


%chk=000093739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093739

0 1
O 0.780115 1.661860 0.210053
O -2.830659 1.649169 -2.006087
O -1.212503 -1.869917 -0.205331
N -1.085875 0.194856 -1.250841
N 2.352928 -0.045294 0.009564
C 0.360130 -0.005700 -1.528861
C 0.598939 0.812944 -2.835916
C -0.478423 1.917544 -2.777858
C 1.179959 0.587889 -0.351298
C -1.632092 1.290527 -1.989283
C 2.844225 -1.319366 -0.574075
C 3.151975 0.542593 1.114785
C 2.270930 -2.575964 0.123784
C 4.256485 1.498732 0.610503
C -1.742398 -0.730669 -0.391370
C 2.843201 -3.883381 -0.469496
C 5.108521 2.065636 1.768913
C -2.990010 -0.322925 0.316890
C 2.274765 -5.140094 0.224452
C 6.215034 3.023671 1.277956
C -3.963990 -1.319040 0.584673
C -3.154962 0.986170 0.837945
C -5.113808 -0.999807 1.334771
C -4.294274 1.294631 1.608687
C -5.280246 0.308474 1.848932
H 0.543977 -1.080528 -1.660324
H 1.625238 1.211614 -2.887268
H 0.435730 0.161046 -3.712608
H -0.125103 2.795456 -2.206557
H -0.834656 2.260683 -3.761444
H 2.627258 -1.350924 -1.657531
H 3.947850 -1.315056 -0.485403
H 2.459366 1.094494 1.773269
H 3.598770 -0.288095 1.694922
H 1.167048 -2.574172 0.040775
H 2.504989 -2.526056 1.206389
H 3.778519 2.330283 0.057838
H 4.916044 0.967689 -0.106925
H 3.949899 -3.880248 -0.384615
H 2.612971 -3.926590 -1.554159
H 5.567629 1.228232 2.333879
H 4.446227 2.597638 2.481256
H 2.519097 -5.141332 1.303293
H 2.685533 -6.066467 -0.217052
H 1.173803 -5.176138 0.131235
H 5.780775 3.883977 0.735073
H 6.910390 2.508080 0.589004
H 6.808122 3.421268 2.121660
H -3.803280 -2.332719 0.203033
H -2.387484 1.745669 0.660381
H -5.873499 -1.765684 1.524928
H -4.415111 2.302838 2.018896
H -6.170372 0.556404 2.438359


