%chk=000018001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018001

0 1
 O  -0.6991000      -1.275600     -0.1564000    
 O    1.269900     -0.5405000      -1.804100    
 O    1.076800      -2.314700      0.8705000    
 N   -3.423600     -0.6562000      0.3856000    
 C   -4.529100     -0.1445000     -0.4244000    
 C   -2.989900      -1.962100     -0.1089000    
 C   -4.022400      0.4658000      -1.740900    
 C   -3.819200     -0.7468000       1.790500    
 C   -5.503100      -1.287700     -0.7064000    
 C   -1.575700      -2.269900      0.3570000    
 C    1.452500     -0.2579000     -0.4017000    
 C   -3.043200       1.616100      -1.543500    
 C   -4.273200      0.6025000       2.321100    
 C   0.6274000      -1.410500      0.1765000    
 C    2.938600     -0.3134000     -3.9500002E-02
 C   0.8615000       1.114700     -7.2400004E-02
 C    3.331200     -0.7270000       1.233600    
 C   0.8765000       2.128600      -1.030400    
 C    3.900500      4.9199998E-02 -0.9825000    
 C   0.3070000       1.352000       1.185500    
 C    4.685500     -0.7777000       1.563700    
 C   0.3377000       3.379800     -0.7304000    
 C    5.254700     -1.7000000E-03 -0.6523000    
 C  -0.2320000       2.603200       1.485300    
 C    1.760100      -1.827400      -2.123600    
 C    5.647100     -0.4152000      0.6209000    
 C  -0.2166000       3.617000      0.5272000    
 H   -5.081100      0.6649000      5.9000000E-02
 H   -3.645800      -2.782100      0.2101000    
 H   -2.939500      -1.976500      -1.203900    
 H   -3.555400     -0.2873000      -2.385700    
 H   -4.884300      0.8463000      -2.304600    
 H   -4.597700      -1.495500       1.977200    
 H   -2.953900      -1.041300       2.394400    
 H   -5.135100      -2.028100      -1.424800    
 H   -6.408600     -0.8693000      -1.165400    
 H   -5.844600      -1.802200      0.1972000    
 H   -1.275900      -3.246000     -4.4000000E-02
 H   -1.498700      -2.315400       1.448300    
 H   -2.783500       2.061200      -2.509100    
 H   -2.119000       1.268000      -1.076800    
 H   -3.477300       2.399100     -0.9138000    
 H   -3.625700       1.418800       1.982300    
 H   -5.311700      0.8324000       2.064700    
 H   -4.228100      0.5932000       3.416500    
 H    2.614500     -0.9618000       2.014000    
 H    1.309200       1.971000      -2.014300    
 H    3.622900      0.3924000      -1.975300    
 H   0.2918000      0.5820000       1.951600    
 H    4.991000      -1.086600       2.559100    
 H   0.3505000       4.169600      -1.475700    
 H    6.003600      0.2852000      -1.384600    
 H  -0.6628000       2.788300       2.464900    
 H    2.586100      -2.218000      -1.522800    
 H   0.9375000      -2.551300      -2.106500    
 H    2.107300      -1.792800      -3.161800    
 H    6.701400     -0.4508000      0.8792000    
 H  -0.6364000       4.591100      0.7607000    


%chk=000018001-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018001

0 1
O -1.032575 -1.038172 -1.562776
O 2.152002 -1.515259 -1.760037
O -0.090932 -2.345035 0.118399
N -3.316641 -0.789536 0.527020
C -4.082853 0.408587 1.010454
C -3.438638 -1.037481 -0.924491
C -3.347062 1.732819 0.677405
C -3.539271 -2.000236 1.366468
C -5.562169 0.443093 0.529170
C -2.282764 -1.848961 -1.525311
C 1.289712 -0.581625 -0.967330
C -2.056421 1.918718 1.498831
C -2.703181 -1.989390 2.660875
C -0.011937 -1.393586 -0.698404
C 2.008876 -0.146350 0.321478
C 1.046248 0.622692 -1.895986
C 1.444785 -0.235574 1.615883
C 1.260396 0.521786 -3.290871
C 3.311300 0.401171 0.175221
C 0.573566 1.842984 -1.354864
C 2.169784 0.218021 2.743116
C 1.011874 1.630466 -4.130915
C 4.037873 0.842632 1.298992
C 0.316930 2.947287 -2.195563
C 2.691976 -2.687736 -1.049005
C 3.466847 0.754727 2.591791
C 0.535781 2.846386 -3.589129
H -4.097074 0.320176 2.115085
H -4.380391 -1.581511 -1.198492
H -3.473730 -0.066289 -1.449672
H -3.107789 1.766208 -0.404080
H -4.041901 2.575235 0.869818
H -4.621966 -2.130389 1.613868
H -3.248101 -2.889511 0.778838
H -5.633580 0.669725 -0.550812
H -6.122746 1.226890 1.071022
H -6.071789 -0.521952 0.711965
H -2.496917 -2.076438 -2.583938
H -2.081145 -2.781395 -0.970155
H -1.508281 2.829109 1.193387
H -1.394168 1.046698 1.360684
H -2.282645 2.007857 2.578860
H -1.629378 -1.992632 2.407857
H -2.915455 -1.097375 3.278020
H -2.924268 -2.884683 3.272350
H 0.451365 -0.671084 1.755415
H 1.628799 -0.420527 -3.703134
H 3.744859 0.473252 -0.828675
H 0.413538 1.933902 -0.275202
H 1.719278 0.144486 3.739385
H 1.187900 1.543515 -5.209394
H 5.043175 1.258959 1.169069
H -0.046853 3.886406 -1.762895
H 3.292583 -2.384419 -0.171537
H 1.887620 -3.370462 -0.720931
H 3.336370 -3.183506 -1.792493
H 4.027167 1.100724 3.467742
H 0.342616 3.705201 -4.242277


