%chk=000060790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060790

0 1
 O    2.276100      -2.615800     -0.1656000    
 O  -0.1677000      -3.791000     -0.8803000    
 O   -4.480200       2.816000      0.8482000    
 O   -6.227100       2.238100      -1.235400    
 O    6.928600       3.428400     -0.1774000    
 N   -1.969100      -2.099300      0.5382000    
 N    6.212900       1.276800     -0.5809000    
 C   0.1132000      -3.441300      0.4780000    
 C   -1.215800      -3.165000       1.185100    
 C    1.062500      -2.245100      0.4859000    
 C   -3.252700      -1.895500       1.196100    
 C   -4.044900     -0.7903000      0.5499000    
 C    3.241800      -1.661100     -0.2659000    
 C    4.005700      0.5964000      0.1532000    
 C    5.217400      0.2884000     -0.4765000    
 C   -3.894600      0.5130000       1.002500    
 C    3.016300     -0.3857000      0.2564000    
 C   -4.914000      -1.090700     -0.4895000    
 C    4.452500      -1.960100     -0.8922000    
 C   -4.628400       1.537000      0.4034000    
 C    5.444700     -0.9859000     -0.9994000    
 C   -5.505100       1.247100     -0.6420000    
 C   -5.648000     -6.6699997E-02  -1.088400    
 C    3.808100       1.941900      0.6865000    
 C    4.768600       2.866700      0.5762000    
 C    6.063800       2.559200     -8.9800000E-02
 C   -3.564100       3.027200       1.920700    
 C   -7.100500       1.857400      -2.296800    
 H   0.6014000      -4.309200      0.9363000    
 H   -1.810700      -4.087100       1.166200    
 H   -1.019100      -2.911300       2.233500    
 H   0.5950000      -1.421900     -6.8599999E-02
 H    1.257100      -1.962500       1.527800    
 H   -3.103300      -1.653700       2.256700    
 H   -3.846800      -2.818900       1.176600    
 H   -2.118300      -2.340200     -0.4416000    
 H   -3.196600      0.6764000       1.816300    
 H    2.094700     -0.1012000      0.7536000    
 H   -5.030400      -2.110700     -0.8453000    
 H   0.6838000      -3.961300      -1.318400    
 H    4.628000      -2.952300      -1.299200    
 H    6.383600      -1.229300      -1.489100    
 H   -6.308700     -0.3658000      -1.894700    
 H    2.868800       2.179300       1.174000    
 H    7.084000       1.029700      -1.042100    
 H    4.630300       3.867800      0.9691000    
 H   -3.882800       2.509700       2.832100    
 H   -3.572900       4.099000       2.145200    
 H   -2.538700       2.772000       1.632200    
 H   -6.546600       1.445200      -3.147100    
 H   -7.890500       1.183800      -1.947400    
 H   -7.593800       2.768700      -2.650700    


%chk=000060790-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060790

0 1
O 2.197115 -2.463261 -0.072460
O -0.062676 -3.766771 -1.063325
O -3.613985 2.520291 -0.462645
O -6.193685 2.341780 -1.032038
O 6.958207 3.702901 0.336626
N -2.053722 -2.406550 0.453522
N 6.100274 1.597097 -0.198753
C 0.128046 -3.572867 0.383990
C -1.276907 -3.536134 1.000564
C 0.916688 -2.284317 0.644337
C -3.428698 -2.303843 0.992782
C -4.179184 -1.104948 0.426632
C 3.114503 -1.399566 -0.056610
C 3.919192 0.831460 0.565012
C 5.127445 0.593359 -0.164991
C -3.510114 0.134120 0.241207
C 2.915136 -0.178358 0.611417
C -5.548551 -1.193458 0.109285
C 4.319839 -1.631381 -0.779050
C -4.196371 1.264496 -0.245665
C 5.314579 -0.647464 -0.834203
C -5.592820 1.169446 -0.556211
C -6.253603 -0.063624 -0.374118
C 3.773421 2.109996 1.234488
C 4.757919 3.072329 1.175745
C 6.009406 2.863041 0.434903
C -2.188036 2.651936 -0.163865
C -7.617840 2.271630 -1.361660
H 0.693893 -4.429759 0.807935
H -1.752038 -4.529205 0.811349
H -1.191494 -3.420010 2.099764
H 0.368077 -1.412744 0.241882
H 1.104675 -2.146181 1.728285
H -3.338995 -2.206761 2.096049
H -4.034279 -3.226331 0.811630
H -2.049110 -2.446006 -0.576432
H -2.442621 0.177540 0.475601
H 1.998641 0.019675 1.175764
H -6.078474 -2.144933 0.235023
H 0.819669 -3.647096 -1.501116
H 4.449354 -2.592705 -1.285129
H 6.238052 -0.836172 -1.393623
H -7.316824 -0.158238 -0.614021
H 2.852659 2.301993 1.798827
H 6.969040 1.438633 -0.719266
H 4.659081 4.039015 1.676510
H -1.979820 2.455610 0.906670
H -1.941890 3.696432 -0.405261
H -1.578726 1.969801 -0.789240
H -7.810836 1.539484 -2.170596
H -8.226717 2.010146 -0.473603
H -7.879393 3.282772 -1.706320


