%chk=000003869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003869

0 1
 O   -2.539400      -1.710200       2.646000    
 O   -3.213700       2.685600      -1.730900    
 O   -1.395800       3.534200       1.033500    
 N  -0.6017000      -2.832800     -0.3105000    
 N   5.2999999E-02   2.798300     -0.5845000    
 C   0.7643000      -3.327300     -0.4839000    
 C    1.790200      -2.301500      3.3199999E-02
 C  -0.8632000      -2.523800       1.086400    
 C    1.824000     -0.9732000     -0.7378000    
 C   -2.294400      -2.004200       1.271400    
 C    1.013700      -3.633200      -1.961100    
 C   -2.534800     -0.7448000      0.4682000    
 C    2.881500     -1.3300000E-02 -0.2537000    
 C   -1.729800      0.3601000      0.6852000    
 C   -3.555900     -0.7248000     -0.4659000    
 C    2.570200      0.8948000      0.7471000    
 C    4.147700     -5.4000001E-02 -0.8176000    
 C   -1.953100       1.521200     -5.4900002E-02
 C   -3.779000      0.4364000      -1.206100    
 C   -2.977500       1.559300      -1.000600    
 C    3.548100       1.783200       1.194500    
 C    5.125700      0.8342000     -0.3700000    
 C    4.825800       1.752800      0.6360000    
 C   -1.105900       2.682900      0.1761000    
 H   0.8913000      -4.260200      8.0499999E-02
 H    2.783000      -2.764500     -7.3100001E-02
 H    1.712500      -2.127200       1.111200    
 H   -1.266500      -3.530200     -0.6438000    
 H  -0.7367000      -3.421600       1.705800    
 H  -0.1871000      -1.774200       1.504300    
 H   0.8464000     -0.4803000     -0.6833000    
 H    1.998600      -1.150600      -1.805500    
 H   -3.009400      -2.784100      0.9806000    
 H   0.7625000      -2.790400      -2.613600    
 H    2.060000      -3.905400      -2.136600    
 H   0.3957000      -4.479900      -2.282000    
 H  -0.9413000      0.3445000       1.432300    
 H   -4.186500      -1.592700     -0.6350000    
 H    1.582000      0.9194000       1.196000    
 H    4.391800     -0.7670000      -1.599800    
 H   -2.377100      -2.524300       3.152600    
 H   -4.579200      0.4596000      -1.940800    
 H    3.315000       2.496900       1.979200    
 H    6.120900      0.8102000     -0.8043000    
 H    5.587500       2.444100      0.9848000    
 H   -2.584200       3.384300      -1.489500    
 H   0.6843000       3.582600     -0.4587000    
 H   0.3104000       2.108100      -1.283000    


%chk=000003869-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003869

0 1
O -2.804363 -1.987753 2.407337
O -3.762982 3.117798 -1.150320
O -1.359643 3.586846 -1.698474
N -0.299806 -2.658018 -0.354511
N 0.371489 2.233880 -1.019356
C 0.975722 -3.412982 -0.458849
C 2.166932 -2.527388 0.003266
C -0.819357 -2.443605 1.009202
C 2.352359 -1.258926 -0.872649
C -2.300140 -2.003840 1.009966
C 1.147247 -3.920489 -1.905106
C -2.608150 -0.627000 0.439918
C 3.079282 -0.115989 -0.177982
C -1.629852 0.239374 -0.077824
C -3.968615 -0.198543 0.434004
C 2.565520 0.454100 1.020377
C 4.269272 0.435013 -0.719834
C -1.969275 1.519419 -0.599768
C -4.339003 1.045776 -0.088077
C -3.352898 1.917103 -0.623069
C 3.216463 1.537124 1.652317
C 4.926217 1.517805 -0.090475
C 4.401418 2.075426 1.098047
C -0.972454 2.483325 -1.131547
H 0.955355 -4.304437 0.219876
H 3.091451 -3.136622 -0.000684
H 2.001160 -2.229473 1.056098
H -1.019403 -3.032644 -0.986868
H -0.747669 -3.377415 1.627405
H -0.220049 -1.676620 1.537786
H 1.333115 -0.935369 -1.171373
H 2.885616 -1.519877 -1.805403
H -2.880298 -2.768514 0.436664
H 1.120149 -3.082794 -2.624232
H 2.110537 -4.447990 -2.020389
H 0.341065 -4.628825 -2.175566
H -0.595299 -0.116133 -0.120447
H -4.732538 -0.857384 0.861550
H 1.653547 0.042112 1.474398
H 4.683496 0.010116 -1.642521
H -2.736989 -2.906392 2.778501
H -5.380870 1.377782 -0.102825
H 2.798756 1.961090 2.572443
H 5.845364 1.924979 -0.527057
H 4.907915 2.915339 1.585956
H -2.905275 3.586765 -1.512246
H 1.010072 2.937058 -1.390748
H 0.769306 1.453792 -0.498509


