%chk=000116185.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116185

0 1
 O    6.829500       1.632000      2.8000001E-02
 O   0.8667000      -2.293900     -0.6752000    
 O    7.615900     -0.5303000      9.7599998E-02
 O   -1.668500       1.655100      0.1292000    
 N   0.2875000     -0.2913000      0.3337000    
 N   -1.056200     -0.5777000      0.2958000    
 C    2.612100     -0.8268000     -0.1202000    
 C    5.272100     -0.1068000     -1.3100000E-02
 C    2.939800      0.5128000     -0.1264000    
 C    3.568200      -1.818900     -6.2399998E-02
 C    4.285100      0.8771000     -7.2300002E-02
 C    4.913600      -1.454800     -8.2999999E-03
 C    1.178800      -1.214700     -0.1781000    
 C   -5.799000      0.4726000      1.2600000E-02
 C    6.674700      0.2726000      4.3400001E-02
 C   -4.374200      0.8458000      5.7000000E-02
 C   -6.192200     -0.7658000      0.4930000    
 C   -6.718000       1.369300     -0.5077000    
 C   -3.362400     -2.7300000E-02  0.1672000    
 C   -7.541400      -1.117200      0.4523000    
 C   -8.067200       1.017900     -0.5485000    
 C   -1.956200      0.4641000      0.1925000    
 C   -8.479000     -0.2253000     -6.8400003E-02
 C    8.170300       2.131300      7.8500003E-02
 H    2.202800       1.305600     -0.2027000    
 H    3.304600      -2.872300     -5.2499998E-02
 H    4.517900       1.938200     -8.5400000E-02
 H    5.666700      -2.237100      3.8600001E-02
 H   0.5484000      0.5685000      0.8045000    
 H   -4.171300       1.911800     -1.6799999E-02
 H   -5.502000      -1.482100      0.9272000    
 H   -6.412800       2.341100     -0.8864000    
 H   -1.319700      -1.556000      0.3607000    
 H   -3.509600      -1.100000      0.2160000    
 H   -7.863400      -2.083100      0.8306000    
 H   -8.797400       1.712300     -0.9539000    
 H   -9.529800     -0.4984000     -9.8899998E-02
 H    8.656100       1.813600       1.005800    
 H    8.734700       1.784500     -0.7922000    
 H    8.127900       3.223500      5.8899999E-02


%chk=000116185-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116185

0 1
O 7.087786 1.673928 -0.135090
O 0.894850 -2.430852 0.195200
O 7.781047 -0.506266 0.308551
O -1.712046 1.565429 -0.038155
N 0.248363 -0.233052 0.050180
N -1.081480 -0.646642 0.059791
C 2.655495 -0.732577 0.101614
C 5.398253 -0.011228 0.100493
C 3.043139 0.614447 -0.134448
C 3.655324 -1.714026 0.328963
C 4.403862 0.973359 -0.134576
C 5.014865 -1.357837 0.330388
C 1.233714 -1.198968 0.117710
C -5.936403 0.371845 -0.007719
C 6.854081 0.316939 0.109181
C -4.505463 0.700213 -0.014158
C -6.432725 -0.964533 0.039867
C -6.878711 1.440019 -0.051174
C -3.450373 -0.170507 0.026678
C -7.817460 -1.217521 0.044085
C -8.266078 1.186858 -0.046902
C -2.065532 0.334855 0.012667
C -8.741625 -0.143863 0.000878
C 8.512526 2.080643 -0.145812
H 2.300442 1.394560 -0.336733
H 3.334002 -2.746183 0.498879
H 4.708632 2.006731 -0.318614
H 5.796896 -2.103297 0.506078
H 0.340163 0.788648 0.021367
H -4.243515 1.767743 -0.056344
H -5.734163 -1.808021 0.073239
H -6.511271 2.472869 -0.088239
H -1.194578 -1.664928 0.112670
H -3.594901 -1.257401 0.070647
H -8.182715 -2.249782 0.080888
H -8.973963 2.022053 -0.080631
H -9.818494 -0.344944 0.004356
H 8.979890 1.859090 0.828285
H 9.056919 1.540416 -0.938483
H 8.494348 3.161680 -0.341879


