%chk=000072313.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072313

0 1
 O   -4.394200     -0.8281000       1.721700    
 O   -3.532400       2.664300      -1.220600    
 O   -4.029200       3.266600      0.9588000    
 O    6.439900       1.640500      0.6930000    
 N  -0.7931000      -2.000300     -0.6097000    
 N    1.760400      0.7321000     -0.4020000    
 C   -3.167100      -1.324100     -0.3747000    
 C   -2.755900      0.1628000     -0.5112000    
 C  -0.3627000     -0.6059000     -0.9109000    
 C   -1.270400      0.3791000     -0.1615000    
 C   -2.155100      -2.225900      -1.103800    
 C   -3.378200      -1.661700       1.125100    
 C    1.081500     -0.4446000     -0.5446000    
 C   0.1514000      -2.997100      -1.158700    
 C    1.971500      -1.481900     -0.3607000    
 C    1.533300      -2.900400     -0.4701000    
 C   -3.634900       1.006900      0.3620000    
 C    3.239900     -0.9158000     -6.1799999E-02
 C   -3.828500      -3.102000       1.356800    
 C   -4.370500      0.4904000       1.352300    
 C    3.079500      0.4740000     -9.3300000E-02
 C   -3.761000       2.441200      9.8899998E-02
 C    4.512900      -1.444500      0.2314000    
 C    4.134700       1.359400      0.1545000    
 C    5.575500     -0.5693000      0.4826000    
 C    5.387100      0.8106000      0.4442000    
 C   -3.619700       4.031000      -1.636900    
 C    6.185400       3.042300      0.6392000    
 H   -4.139000      -1.444400     -0.8771000    
 H   -2.899500      0.4218000      -1.568500    
 H  -0.4480000     -0.4202000      -1.991600    
 H   -1.111300      0.2849000      0.9221000    
 H  -0.9895000       1.409600     -0.4167000    
 H   -2.441600      -3.274800     -0.9723000    
 H   -2.205700      -2.032200      -2.184000    
 H   -2.453500      -1.503300       1.694200    
 H   0.2621000      -2.858000      -2.242600    
 H  -0.2301000      -4.013100     -0.9994000    
 H    2.265700      -3.486600      -1.036100    
 H    1.470100      -3.328500      0.5380000    
 H    1.362500       1.655700     -0.5031000    
 H   -3.049300      -3.822200       1.093700    
 H   -4.087300      -3.256200       2.410500    
 H   -4.729800      -3.327100      0.7763000    
 H   -5.060900       1.053900       1.965800    
 H    4.675100      -2.518100      0.2644000    
 H    3.926600       2.421000      0.1093000    
 H    6.556900     -0.9788000      0.7094000    
 H   -3.418500       4.072800      -2.710600    
 H   -2.870300       4.633800      -1.115100    
 H   -4.625700       4.419600      -1.452100    
 H    7.129500       3.550400      0.8615000    
 H    5.469100       3.352300       1.407600    
 H    5.882600       3.359300     -0.3646000    


%chk=000072313-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072313

0 1
O -4.422484 -0.887595 1.747687
O -3.190196 2.823547 -1.080312
O -4.735919 3.191456 0.633148
O 6.529460 1.664965 0.637027
N -0.816058 -2.040286 -0.636288
N 1.719352 0.758930 -0.484329
C -3.217021 -1.392938 -0.383745
C -2.825766 0.107409 -0.532376
C -0.409651 -0.632516 -0.932973
C -1.333683 0.340255 -0.161325
C -2.193134 -2.283195 -1.122791
C -3.368169 -1.769078 1.107133
C 1.047331 -0.474933 -0.585925
C 0.161475 -3.044456 -1.139164
C 1.940227 -1.508284 -0.326184
C 1.502158 -2.949678 -0.373543
C -3.767926 0.966337 0.294317
C 3.226730 -0.903642 -0.039430
C -3.834738 -3.195837 1.386082
C -4.493698 0.418099 1.324677
C 3.058393 0.522006 -0.148264
C -3.976583 2.396307 0.017665
C 4.512362 -1.409277 0.293492
C 4.113360 1.440516 0.062042
C 5.572622 -0.515337 0.506924
C 5.373976 0.894750 0.392985
C -3.358137 4.246380 -1.446864
C 6.400169 3.116915 0.543395
H -4.207021 -1.545982 -0.862254
H -2.944804 0.386720 -1.598156
H -0.553233 -0.427835 -2.032945
H -1.171350 0.200459 0.922690
H -1.080217 1.388609 -0.407609
H -2.434649 -3.351485 -0.978093
H -2.282861 -2.074625 -2.222526
H -2.427830 -1.560398 1.649633
H 0.353142 -2.909074 -2.234305
H -0.283077 -4.047621 -1.001369
H 2.256283 -3.582875 -0.881643
H 1.372513 -3.356366 0.649282
H 1.291273 1.673686 -0.607204
H -3.023205 -3.913899 1.178585
H -4.114089 -3.296111 2.448803
H -4.713512 -3.458159 0.770123
H -5.218982 0.999860 1.902263
H 4.681894 -2.487722 0.386415
H 3.953965 2.519192 -0.027128
H 6.575082 -0.869084 0.765702
H -2.684389 4.400272 -2.302493
H -3.083364 4.899133 -0.600728
H -4.405437 4.451309 -1.726886
H 7.400489 3.513128 0.773480
H 5.667932 3.506730 1.278750
H 6.101296 3.432522 -0.476448


