%chk=000057136.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057136

0 1
 O   -3.784300      -1.422500       1.505300    
 O   -4.420900      6.1500002E-02  -1.743500    
 C   -1.384700      0.3260000      0.1452000    
 C   -1.973200     -0.9530000      5.9200000E-02
 C   4.1600000E-02  0.4693000      0.1031000    
 C   -3.471600      -1.144000      0.1400000    
 C   0.8714000     -0.6854000     -1.1800000E-02
 C   -4.270200      8.1699997E-02 -0.3262000    
 C   0.6856000       1.722900      0.1613000    
 C    2.309800     -0.5548000     -5.1800001E-02
 C   -1.157800      -2.075500     -4.8900001E-02
 C   -2.298800       1.480000      0.2877000    
 C   0.2276000      -1.940400     -8.4200002E-02
 C   -3.611700       1.373400      4.2700000E-02
 C    2.891100      0.7342000      1.7800000E-02
 C    2.071900       1.853600      0.1214000    
 C   3.1300001E-02   3.070600      0.1769000    
 C    3.215800      -1.643500     -0.1584000    
 C    4.286500      0.9031000     -1.8600000E-02
 C    4.602300      -1.466100     -0.1936000    
 C    5.138300     -0.1909000     -0.1237000    
 H   -3.766700      -2.015700     -0.4564000    
 H   -5.272600      4.8000000E-02  0.1171000    
 H   -1.592800      -3.070500     -0.1011000    
 H   -2.022400       2.406300      0.7501000    
 H   0.7951000      -2.863400     -0.1703000    
 H   -4.253500       2.236600      0.1975000    
 H    2.539500       2.836800      0.1672000    
 H  -0.3568000       3.308900       1.171900    
 H  -0.7017000       3.180300     -0.6280000    
 H   0.7433000       3.880300     -3.6300000E-02
 H    2.860000      -2.668700     -0.2168000    
 H    4.726100       1.897600      3.4800000E-02
 H   -3.490000     -0.6711000       2.048100    
 H   -4.978200      0.8182000      -1.994600    
 H    5.256700      -2.329000     -0.2757000    
 H    6.213800     -4.5899998E-02 -0.1507000    


%chk=000057136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057136

0 1
O -3.837569 -1.670013 1.452750
O -4.537914 0.313707 -1.653335
C -1.427589 0.368275 0.173918
C -2.000817 -0.918953 -0.023226
C 0.012501 0.549645 0.062720
C -3.502188 -1.134649 0.104553
C 0.842401 -0.637917 -0.069552
C -4.344571 0.126543 -0.189538
C 0.677028 1.860798 0.021172
C 2.306051 -0.545674 -0.049815
C -1.172783 -2.043537 -0.251864
C -2.362219 1.445317 0.577512
C 0.215865 -1.909552 -0.234431
C -3.721085 1.349287 0.441869
C 2.913271 0.754140 0.012537
C 2.065506 1.914614 0.000371
C -0.046166 3.198467 -0.101561
C 3.170373 -1.684873 -0.076480
C 4.336468 0.884216 0.041394
C 4.564509 -1.542228 -0.042032
C 5.157557 -0.247935 0.016162
H -3.837187 -1.933563 -0.577585
H -5.365088 -0.054272 0.184615
H -1.634913 -3.026032 -0.396824
H -1.951077 2.342023 1.040773
H 0.829505 -2.803092 -0.371544
H -4.372627 2.169285 0.761671
H 2.553707 2.896447 -0.047761
H -0.398241 3.588467 0.872498
H -0.917887 3.146047 -0.775615
H 0.648199 3.951936 -0.511392
H 2.754625 -2.695887 -0.109296
H 4.774821 1.888289 0.084528
H -3.440279 -1.066737 2.133827
H -3.702439 0.694245 -2.030093
H 5.202370 -2.432743 -0.056142
H 6.247683 -0.145192 0.041914


