%chk=000078269.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078269

0 1
 O   -1.667100      -2.165100     -0.1247000    
 O    4.208100      3.2900002E-02 -5.9999999E-02
 O    3.099500       1.917300      0.1383000    
 N   -1.731000      0.6362000      0.1350000    
 N    3.129100      0.6681000      2.3200000E-02
 C  -0.5113000     -6.8999998E-02  4.1200001E-02
 C   -2.023500       1.441500       1.302900    
 C   -2.697700      0.5735000     -0.9421000    
 C  -0.5025000      -1.457900     -8.6700000E-02
 C   0.6920000      0.6357000      7.7200003E-02
 C   -2.201500       2.901300      0.9401000    
 C   -2.129600       1.131200      -2.230900    
 C    1.904000     -4.8599999E-02 -1.4600000E-02
 C   0.7095000      -2.142200     -0.1786000    
 C    1.912800      -1.437500     -0.1424000    
 C   -2.190900      -2.617300       1.122100    
 H   -2.940800       1.070400       1.775800    
 H   -1.234100       1.351000       2.059600    
 H   -3.041900     -0.4514000      -1.112500    
 H   -3.605300       1.132300     -0.6852000    
 H   0.6655000       1.718900      0.1705000    
 H   -1.319700       3.292400      0.4222000    
 H   -3.069100       3.066500      0.2944000    
 H   -2.351400       3.497000       1.846500    
 H   -1.771000       2.156900      -2.096000    
 H   -1.294100      0.5284000      -2.601400    
 H   -2.899500       1.141900      -3.009100    
 H   0.7237000      -3.224100     -0.2794000    
 H    2.837600      -2.003900     -0.2166000    
 H   -2.389900      -1.773400       1.789900    
 H   -1.495500      -3.316100       1.597800    
 H   -3.132400      -3.138500      0.9287000    


%chk=000078269-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078269

0 1
O -1.581318 -2.254918 -0.490207
O 4.269963 0.178889 0.252924
O 3.018152 1.914519 1.039183
N -1.812515 0.531630 0.402242
N 3.133388 0.733852 0.520654
C -0.562087 -0.078980 0.192462
C -1.907194 1.730456 1.270321
C -2.919356 0.350218 -0.583214
C -0.445622 -1.436071 -0.289063
C 0.658940 0.597274 0.472098
C -1.742154 3.098400 0.562044
C -2.549456 0.742410 -2.031260
C 1.897636 -0.022899 0.216731
C 0.808574 -2.008857 -0.586100
C 2.007626 -1.314556 -0.342228
C -2.246254 -2.670611 0.767776
H -2.900217 1.703022 1.760628
H -1.159939 1.630468 2.078102
H -3.260559 -0.698450 -0.585106
H -3.759434 0.973103 -0.225678
H 0.672587 1.619749 0.853366
H -0.768019 3.185061 0.050380
H -2.537138 3.258998 -0.187574
H -1.811570 3.914188 1.305144
H -2.212245 1.791364 -2.097605
H -1.744170 0.094392 -2.418696
H -3.428095 0.615344 -2.690432
H 0.815072 -3.031915 -0.974818
H 2.989608 -1.747739 -0.541435
H -2.544504 -1.791731 1.369877
H -1.565709 -3.313128 1.357151
H -3.131991 -3.245083 0.457531


