%chk=000086586.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086586

0 1
 O   -2.160200       3.390900     -0.5351000    
 O   0.4750000       4.187100      5.2700002E-02
 O    5.212200      -1.497600      -1.610200    
 O    5.569800      -2.673400      0.8829000    
 N   -1.230800       1.214800     -0.4198000    
 C   7.5099997E-02  0.6234000     -0.1678000    
 C   -2.407300      0.4179000     -0.6958000    
 C   0.9599000       1.804500      6.3699998E-02
 C   -3.121600      2.3399999E-02  0.5993000    
 C   -1.260900       2.592500     -0.3754000    
 C   0.1456000       3.028800     -6.1799999E-02
 C   -4.332700     -0.8240000      0.3417000    
 C    2.264000       1.822000      0.3403000    
 C    3.134900      0.6394000      0.4794000    
 C   -5.569400     -0.2175000      0.1507000    
 C   -4.207700      -2.208100      0.2958000    
 C    3.765900      0.1278000     -0.6418000    
 C    3.301900      6.5600000E-02   1.728500    
 C   -6.695300      -1.005100     -8.9100003E-02
 C   -5.333900      -2.995600      5.5900000E-02
 C    4.588500     -0.9911000     -0.5100000    
 C    4.124300      -1.053000       1.860300    
 C   -6.577700      -2.394100     -0.1365000    
 C    4.767800      -1.581300      0.7411000    
 C    4.512800      -2.497300      -2.348800    
 H   0.3746000      4.9500000E-02  -1.049700    
 H   6.2000002E-03 -2.0500001E-02  0.7135000    
 H   -3.086000       1.006500      -1.325000    
 H   -2.102200     -0.4629000      -1.272200    
 H   -3.410400      0.9231000       1.158900    
 H   -2.431200     -0.5150000       1.261900    
 H    2.777300       2.770000      0.4863000    
 H   -5.672100      0.8637000      0.1836000    
 H   -3.243600      -2.687100      0.4421000    
 H    3.629900      0.5851000      -1.618900    
 H    2.805700      0.4684000       2.607400    
 H   -7.663700     -0.5368000     -0.2395000    
 H   -5.242400      -4.077100      1.8300001E-02
 H    4.255400      -1.503100       2.840700    
 H   -7.454400      -3.007300     -0.3235000    
 H    5.573500      -2.944400       1.817000    
 H    4.315200      -3.372600      -1.721900    
 H    5.140600      -2.804100      -3.189800    
 H    3.572900      -2.096300      -2.741400    


%chk=000086586-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086586

0 1
O -2.482606 3.304685 0.830777
O 0.379083 3.986171 1.619980
O 3.566151 -2.582078 -1.048056
O 6.325798 -1.979913 -0.426956
N -1.404072 1.359323 0.024837
C -0.061345 0.743726 -0.032163
C -2.602683 0.691072 -0.486748
C 0.840612 1.779184 0.618384
C -3.191646 -0.351582 0.512729
C -1.449769 2.605925 0.646726
C 0.003643 2.931708 1.042210
C -4.460898 -0.980785 -0.040354
C 2.197467 1.772812 0.829633
C 3.212739 0.773757 0.510197
C -5.699334 -0.292897 0.053373
C -4.430309 -2.235061 -0.701918
C 2.942059 -0.489194 -0.094897
C 4.569494 1.075908 0.834556
C -6.876659 -0.845564 -0.497310
C -5.606327 -2.791620 -1.255198
C 3.962721 -1.414391 -0.384503
C 5.600006 0.167195 0.546100
C -6.834051 -2.097504 -1.154949
C 5.316087 -1.071872 -0.076175
C 4.138559 -3.878738 -0.620943
H 0.224297 0.538541 -1.084877
H -0.049626 -0.222069 0.515149
H -3.357134 1.475439 -0.675228
H -2.366481 0.196843 -1.448798
H -3.398661 0.174029 1.463003
H -2.434086 -1.131687 0.718619
H 2.571389 2.683742 1.324578
H -5.739407 0.676319 0.566335
H -3.481654 -2.782078 -0.777277
H 1.929168 -0.796565 -0.360911
H 4.807393 2.033459 1.310164
H -7.825338 -0.303670 -0.411959
H -5.566287 -3.764161 -1.759013
H 6.639753 0.422281 0.789879
H -7.747332 -2.528047 -1.580720
H 7.219086 -1.616322 -0.204338
H 5.219978 -3.921734 -0.821930
H 3.599510 -4.627899 -1.219766
H 3.946213 -4.047584 0.455752


