%chk=000028973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028973

0 1
 O    1.033500      -2.429800     -0.3791000    
 O    4.653700       1.043900      0.6078000    
 O   -1.142600      -2.434800      0.3714000    
 N  -0.6703000       1.727200     -0.5089000    
 N   -4.776300     -0.2412000      0.3506000    
 C   -1.127000      0.4375000     -0.4590000    
 C   -2.547200      0.1020000     -0.7011000    
 C  -5.9900001E-02 -0.3784000     -0.1616000    
 C   0.6808000       1.762900     -0.2476000    
 C    1.091300      0.4467000     -2.5100000E-02
 C   -3.383500      0.1194000      0.5931000    
 C   -1.488600       2.887800     -0.7949000    
 C    2.447400      0.1994000      0.2673000    
 C    1.562200       2.848500     -0.1917000    
 C  -0.1389000      -1.806000     -2.3100000E-02
 C    3.340300       1.275600      0.3264000    
 C    2.902400       2.578900      0.1001000    
 C   -5.439300      0.7252000     -0.5646000    
 C   -5.503800     -0.3596000       1.615500    
 C    1.079300      -3.857600     -0.2849000    
 C    5.038900     -0.3111000      0.8294000    
 C    2.447800      -4.336700     -0.7198000    
 H   -2.951900      0.7923000      -1.448600    
 H   -2.618700     -0.8904000      -1.164800    
 H   -3.315300       1.102700       1.076700    
 H   -2.940900     -0.5984000       1.296000    
 H   -1.656300       2.926100      -1.874300    
 H   -2.436700       2.808900     -0.2594000    
 H  -0.9878000       3.798500     -0.4623000    
 H    2.742400     -0.8255000      0.4483000    
 H    1.238500       3.867900     -0.3700000    
 H    3.608900       3.404300      0.1483000    
 H   -5.049700      0.6439000      -1.582900    
 H   -5.332000       1.756600     -0.2116000    
 H   -6.509000      0.4971000     -0.6367000    
 H   -5.040200      -1.114100       2.260800    
 H   -6.532600     -0.6907000       1.436600    
 H   -5.536700      0.5909000       2.160000    
 H   0.8914000      -4.158600      0.7514000    
 H   0.3097000      -4.288800     -0.9343000    
 H    6.114300     -0.3107000       1.036000    
 H    4.887500     -0.9258000     -6.4599998E-02
 H    4.546100     -0.7315000       1.712800    
 H    2.519000      -5.426200     -0.6582000    
 H    2.655500      -4.025900      -1.749100    
 H    3.228100      -3.894500     -9.1499999E-02


%chk=000028973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028973

0 1
O 1.038263 -2.446798 -0.184560
O 4.767762 1.092134 0.396474
O -1.283804 -2.471661 -0.422727
N -0.684862 1.838555 -0.583538
N -4.849001 -0.145865 0.239323
C -1.163660 0.527482 -0.631307
C -2.611769 0.198952 -0.862814
C -0.075661 -0.354074 -0.398453
C 0.705935 1.823239 -0.340974
C 1.120643 0.458438 -0.220335
C -3.407243 0.078384 0.471570
C -1.452765 3.074074 -0.755050
C 2.485407 0.161738 0.029961
C 1.610932 2.900025 -0.222001
C -0.210805 -1.805295 -0.346557
C 3.387848 1.240264 0.150258
C 2.959924 2.596209 0.026184
C -5.579923 1.080269 -0.127388
C -5.505146 -0.880144 1.339481
C 0.983406 -3.933889 -0.111921
C 5.277361 -0.272004 0.532208
C 2.416809 -4.418812 0.089240
H -3.083363 0.950699 -1.522744
H -2.682139 -0.779413 -1.363076
H -3.223332 0.984360 1.107351
H -2.998882 -0.791694 1.015040
H -1.182681 3.581437 -1.699972
H -2.529748 2.853247 -0.767639
H -1.252184 3.763197 0.084862
H 2.794077 -0.880684 0.117238
H 1.289673 3.942071 -0.320420
H 3.710773 3.385189 0.128213
H -5.136714 1.540012 -1.028787
H -5.584242 1.850642 0.687931
H -6.629168 0.830636 -0.366327
H -4.980052 -1.835976 1.509744
H -6.549462 -1.110133 1.059765
H -5.526215 -0.315972 2.307093
H 0.319171 -4.223724 0.722717
H 0.537974 -4.316888 -1.048179
H 6.356699 -0.160992 0.714560
H 5.111918 -0.858565 -0.393050
H 4.804994 -0.796057 1.386520
H 2.435681 -5.522783 0.143494
H 3.060737 -4.102572 -0.749879
H 2.840636 -4.019361 1.027272


