%chk=000107591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107591

0 1
 O    4.467900     -0.9433000      0.2470000    
 O   -8.839000      -1.129300     -0.4938000    
 O   -8.905900      0.8926000      0.5221000    
 N    4.857000       1.222500     -0.2961000    
 C    2.531800      0.3830000     -2.1500001E-02
 C    3.965600      0.2901000     -4.0800001E-02
 C  -0.2577000      0.5635000      1.1700000E-02
 C    5.819400     -0.7665000      0.1641000    
 C    6.053600      0.5596000     -0.1685000    
 C    1.758100     -0.7418000      0.2771000    
 C    1.902400       1.598900     -0.3035000    
 C   0.3662000     -0.6518000      0.2935000    
 C   0.5105000       1.689000     -0.2869000    
 C   -1.709100      0.6565000      2.7899999E-02
 C   -4.030100     -0.2988000     -4.5600001E-02
 C    6.810500      -1.718500      0.3687000    
 C    7.377500      0.9977000     -0.3153000    
 C   -2.559800     -0.3913000     -8.1600003E-02
 C    8.125600      -1.265100      0.2184000    
 C    8.406100      6.5300003E-02 -0.1166000    
 C   -4.625800      0.8203000      0.5129000    
 C   -4.787800      -1.333300     -0.5701000    
 C   -6.794500     -0.1258000      2.3900000E-02
 C   -6.017500      0.9074000      0.5480000    
 C   -6.179600      -1.246200     -0.5352000    
 C   -8.245400     -3.4800000E-02  6.0199998E-02
 H    2.206300      -1.705400      0.5067000    
 H    2.480200       2.489400     -0.5397000    
 H  -0.1883000      -1.548800      0.5531000    
 H   4.2500000E-02   2.644600     -0.5111000    
 H   -2.091600       1.669400      0.1188000    
 H    6.582900      -2.745000      0.6275000    
 H    7.606300       2.026100     -0.5746000    
 H   -2.182200      -1.400100     -0.2253000    
 H    8.947700      -1.961600      0.3652000    
 H    9.440400      0.3822000     -0.2250000    
 H   -4.062100       1.636700      0.9527000    
 H   -4.323400      -2.211800      -1.010200    
 H   -6.478600       1.785800      0.9922000    
 H   -6.744700      -2.073700     -0.9550000    
 H   -9.817600      -1.065400     -0.4681000    


%chk=000107591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107591

0 1
O 4.647621 -1.111692 -0.003530
O -9.117253 -1.165570 -0.076546
O -9.082070 1.157207 -0.037949
N 4.922663 1.196937 0.037747
C 2.586952 0.263393 0.010571
C 4.040645 0.200804 0.016450
C -0.270115 0.435516 -0.000657
C 6.031840 -0.838232 0.007752
C 6.196616 0.578177 0.033143
C 1.791268 -0.917701 -0.013097
C 1.943921 1.531991 0.028784
C 0.391626 -0.830243 -0.018502
C 0.543338 1.609185 0.023251
C -1.729033 0.589946 -0.005464
C -4.121718 -0.257156 -0.035604
C 7.097032 -1.745503 -0.002931
C 7.492968 1.135767 0.049115
C -2.662451 -0.416850 -0.030244
C 8.391873 -1.171945 0.013226
C 8.584671 0.239524 0.038758
C -4.776935 1.013076 -0.017523
C -4.937596 -1.428251 -0.060283
C -6.973297 -0.075684 -0.047716
C -6.176101 1.101923 -0.023469
C -6.340379 -1.345533 -0.066216
C -8.448536 0.072442 -0.052984
H 2.285149 -1.893921 -0.026991
H 2.561005 2.435624 0.047054
H -0.194279 -1.755007 -0.036785
H 0.057989 2.592558 0.037477
H -2.079145 1.631703 0.013071
H 6.942297 -2.827294 -0.022417
H 7.635405 2.219712 0.068647
H -2.314313 -1.459146 -0.048172
H 9.266154 -1.831470 0.005911
H 9.605555 0.635544 0.050509
H -4.187267 1.935220 0.000860
H -4.454109 -2.412501 -0.074857
H -6.681355 2.073303 -0.009710
H -6.955935 -2.248955 -0.084987
H -10.096900 -0.994599 -0.078494


