%chk=000107878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107878

0 1
 O    1.258100      0.7718000      -1.329500    
 O   -1.292600       1.344900      -1.290400    
 O    1.599200       1.364600      0.9473000    
 O  -0.3424000      0.6474000       2.849600    
 O    1.627500      -2.305200      0.6112000    
 O    1.080000       2.992600     -0.6458000    
 O    3.652000      -1.691200      -1.169600    
 N   -2.293100     -0.1584000      0.8774000    
 N   -2.787400     -0.8215000      -1.340900    
 N   -4.333600      -1.098700      0.4035000    
 C  -0.8925000      5.9099998E-02  0.5776000    
 C  -0.5501000     -0.7489000     -0.6674000    
 C  -0.6556000       1.422800     -3.3000000E-03
 C   0.9707000     -0.5929000     -0.9930000    
 C  -8.5000005E-03 -0.2347000       1.779000    
 C    1.454300     -5.5000000E-03   1.374300    
 C    1.855100     -0.9527000      0.2208000    
 C   0.8539000       1.636900     -0.2520000    
 C   -1.416200     -0.1436000      -1.752300    
 C    3.346400     -0.8092000     -0.1083000    
 C   -3.125200     -0.6776000     -8.8200003E-02
 H  -0.7419000      -1.822900     -0.5304000    
 H   -1.097500       2.239000      0.5778000    
 H    1.207300      -1.218100      -1.861200    
 H  -0.1665000      -1.258200       2.138500    
 H    2.100300     -0.1471000       2.248400    
 H   -1.168000     -0.2710000      -2.806800    
 H   -2.637500      4.8500001E-02   1.809600    
 H    3.970000      -1.089400      0.7476000    
 H    3.619900      0.2056000     -0.4113000    
 H   0.2513000      0.4430000       3.592100    
 H    2.149800      -2.477500       1.413200    
 H    2.035400       3.073200     -0.8056000    
 H    3.422300      -2.591100     -0.8815000    
 H   -5.028400      -1.521300     -0.2025000    
 H   -4.573000     -0.9906000       1.383000    


%chk=000107878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107878

0 1
O 1.311776 0.844193 -1.266450
O -1.406617 1.328136 -1.236088
O 1.609145 1.375301 1.064769
O -0.315072 0.508513 2.993584
O 1.631154 -2.393976 0.532283
O 1.024708 3.021036 -0.493938
O 3.771200 -1.807843 -1.180524
N -2.261213 -0.331037 0.971357
N -2.841677 -0.672441 -1.351077
N -4.436366 -1.005784 0.346626
C -0.858290 -0.043107 0.638442
C -0.469094 -0.825291 -0.654848
C -0.701181 1.397903 0.055060
C 1.022418 -0.592813 -0.975379
C 0.050629 -0.332316 1.844925
C 1.510212 -0.070520 1.424139
C 1.930474 -0.968716 0.228330
C 0.806652 1.680471 -0.185271
C -1.497599 -0.153437 -1.612436
C 3.429230 -0.862579 -0.120406
C -3.155217 -0.662306 -0.061070
H -0.657377 -1.906503 -0.569463
H -1.152428 2.200379 0.659786
H 1.335485 -1.130690 -1.882835
H -0.100979 -1.368561 2.185558
H 2.190167 -0.189611 2.287940
H -1.266296 -0.203169 -2.684952
H -2.596037 0.027452 1.868969
H 4.032852 -1.049423 0.797953
H 3.669893 0.137473 -0.509250
H 0.086559 1.406386 2.838514
H 2.087171 -2.649677 1.376839
H 1.933711 3.133657 -0.875479
H 3.353947 -2.678279 -0.940538
H -5.105696 -1.203385 -0.393820
H -4.622743 -1.337336 1.289654


