%chk=000109040.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109040

0 1
 O    5.352300     -0.4217000       1.179600    
 O   -2.173300       3.900800      -1.023800    
 O    5.010600      0.6468000     -0.8362000    
 O   -1.435100       3.646300       1.146900    
 O   -3.723800     -0.4307000       1.085700    
 N   0.8077000      0.2329000     -0.1750000    
 N   -3.154400      -2.523300      0.1607000    
 C    2.186100      0.4298000     -0.5611000    
 C   8.8600002E-02   1.348100      0.4419000    
 C   0.1564000     -0.9888000     -0.3920000    
 C    3.127900     -0.1212000      0.5037000    
 C  -0.7364000       2.098200     -0.5980000    
 C   -1.175100      -1.147700     -7.8999996E-03
 C   0.8401000      -2.046100     -0.9923000    
 C   -1.822800      -2.364000     -0.2241000    
 C   0.1923000      -3.262300      -1.208500    
 C   -1.139100      -3.421200     -0.8243000    
 C    4.588900      9.2699997E-02  0.1696000    
 C   -1.473400       3.288700     -2.2299999E-02
 C   -3.996700      -1.584900      0.7716000    
 C    6.767200     -0.2829000       1.014500    
 C   -2.916800       5.060600     -0.6361000    
 C   -5.371400      -2.149900       1.027200    
 H    2.407600      2.5000000E-02  -1.556100    
 H    2.386100       1.504600     -0.6735000    
 H  -0.5004000       1.045700       1.315900    
 H   0.8194000       2.051100      0.8665000    
 H    2.974500      -1.196100      0.6457000    
 H    2.927900      0.3778000       1.459900    
 H   -1.479800       1.440900      -1.060600    
 H  -7.3600002E-02   2.467500      -1.390200    
 H   -1.696500     -0.3279000      0.4507000    
 H    1.874600      -1.986400      -1.311700    
 H   0.7241000      -4.086300      -1.675500    
 H   -1.631200      -4.374800     -0.9987000    
 H   -3.554900      -3.439400     -3.0400001E-02
 H    7.096900     -0.8108000      0.1145000    
 H    7.040600      0.7754000      0.9646000    
 H    7.256500     -0.7312000       1.883200    
 H   -3.669300       4.795100      0.1126000    
 H   -2.242600       5.831400     -0.2508000    
 H   -3.425400       5.450200      -1.522000    
 H   -5.296300      -3.034500       1.666000    
 H   -5.840600      -2.423000      7.7900000E-02
 H   -5.992100      -1.402400       1.528900    


%chk=000109040-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109040

0 1
O 5.419641 0.360911 1.181963
O -2.212789 3.981061 -0.790618
O 5.037169 -0.597509 -0.907416
O -0.709310 3.986685 0.987594
O -3.938753 -0.475445 0.735814
N 0.786254 0.127701 -0.205538
N -3.293645 -2.641500 0.085538
C 2.209025 0.287128 -0.528547
C 0.103071 1.281032 0.407105
C 0.138410 -1.108959 -0.369977
C 3.144468 -0.195894 0.622631
C -0.744531 2.092071 -0.606429
C -1.247801 -1.238255 -0.051971
C 0.837046 -2.259145 -0.857691
C -1.906657 -2.475880 -0.216847
C 0.157167 -3.482954 -1.016650
C -1.209136 -3.614969 -0.702070
C 4.597159 -0.184580 0.192703
C -1.187921 3.423263 -0.025337
C -4.217785 -1.695471 0.525354
C 6.869442 0.399829 0.862979
C -2.714585 5.300142 -0.331598
C -5.631084 -2.236443 0.740279
H 2.466792 -0.256498 -1.454320
H 2.404395 1.356278 -0.728545
H -0.533999 0.952382 1.248478
H 0.863395 1.951699 0.843809
H 2.870048 -1.236901 0.880499
H 3.013829 0.418497 1.528241
H -1.630345 1.529867 -0.946940
H -0.140796 2.299701 -1.512225
H -1.837275 -0.398398 0.313408
H 1.898253 -2.210621 -1.115685
H 0.709924 -4.351340 -1.392344
H -1.723767 -4.574672 -0.832151
H -3.650829 -3.589252 -0.051400
H 7.245740 -0.618838 0.670482
H 7.046573 1.024691 -0.028440
H 7.340001 0.836487 1.754688
H -3.136963 5.212919 0.683322
H -1.895839 6.039320 -0.321323
H -3.489145 5.573368 -1.061460
H -5.732739 -3.319862 0.553016
H -6.326743 -1.694809 0.076050
H -5.940066 -2.024736 1.778264


