%chk=000115379.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115379

0 1
 O   -3.072400      0.4411000      -1.744100    
 O    4.270200     -0.1577000     -0.8574000    
 O  -0.2744000      -1.820600       1.007700    
 O   -3.058100      -1.821600      0.1585000    
 N    1.794100      0.2267000      0.4768000    
 N   0.6729000       1.017700      0.6918000    
 C   -2.848800      0.5504000     -0.3485000    
 C   -1.633400       1.450200     -8.1900001E-02
 C  -0.5616000      0.5170000      0.4242000    
 C   -2.386300     -0.8017000      0.1409000    
 C  -0.9807000     -0.7468000      0.5660000    
 C    2.984400       1.003300      0.8429000    
 C    1.845000     -0.1392000     -0.9436000    
 C   -4.110400       1.020200      0.3564000    
 C    4.237200      0.1898000      0.5284000    
 C    3.122300     -0.9288000      -1.218000    
 H   -1.846900       2.202800      0.6865000    
 H   -1.299400       1.968200     -0.9883000    
 H   0.7759000       2.020900      0.5654000    
 H    2.969800       1.242300       1.912900    
 H    3.021900       1.948600      0.2842000    
 H    1.839500      0.7616000      -1.573400    
 H    1.004400     -0.7675000      -1.255000    
 H   -4.402200       2.016300      6.2000002E-03
 H   -4.950000      0.3506000      0.1373000    
 H   -3.980100       1.052700       1.443200    
 H    5.131400      0.7834000      0.7436000    
 H    4.290500     -0.7224000       1.135100    
 H    3.135000      -1.881100     -0.6740000    
 H    3.198500      -1.156000      -2.286100    
 H   -2.227500      0.2312000      -2.177700    
 H   0.6175000      -1.512200       1.243600    


%chk=000115379-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115379

0 1
O -3.685443 0.487561 -1.551499
O 4.571805 -0.389821 -0.270491
O -0.012681 -1.602289 0.607077
O -3.014413 -1.882623 0.070175
N 1.804697 0.369943 0.088193
N 0.682636 1.275197 0.033552
C -2.989199 0.575199 -0.251006
C -1.801361 1.560491 -0.406617
C -0.595195 0.724921 -0.032335
C -2.337856 -0.810552 0.050396
C -0.909383 -0.600727 0.243642
C 2.864678 0.885310 1.007190
C 2.357874 0.083730 -1.280290
C -3.986025 0.961882 0.856809
C 4.015927 -0.136007 1.067012
C 3.519351 -0.917437 -1.152453
H -1.908077 2.449554 0.243304
H -1.763680 1.905536 -1.457093
H 0.853422 2.200462 -0.386688
H 2.417095 1.028628 2.005214
H 3.254540 1.863682 0.644462
H 2.722612 1.023582 -1.752592
H 1.547278 -0.340463 -1.898349
H -4.516845 1.889193 0.577197
H -4.726968 0.153260 0.991175
H -3.472893 1.119175 1.823555
H 4.849856 0.256522 1.670204
H 3.654407 -1.086849 1.514479
H 3.143082 -1.886552 -0.759773
H 3.999916 -1.082973 -2.129475
H -4.159853 -0.387642 -1.556547
H 0.898997 -1.150493 0.595172


