%chk=000125425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125425

0 1
 O  -0.5299000       2.026700      -1.419800    
 O   -1.015200       3.063000      0.5472000    
 O  -0.2100000     -0.5531000      0.7978000    
 O    2.170200      0.8457000      0.9802000    
 O    6.653400     -0.5876000      -1.442500    
 C   -4.416400      0.4604000      5.1899999E-02
 C   -4.588600     -0.7136000       1.018500    
 C   -3.999700       1.730400      0.7986000    
 C   -5.032200      -2.012400      0.3339000    
 C   -3.835900       2.950600     -0.1152000    
 C   -4.095000      -2.543000     -0.7577000    
 C   -2.730400       2.823900      -1.163500    
 C   -2.731500      -2.893600     -0.2381000    
 C   -1.360800       2.659100     -0.5532000    
 C   -1.594100      -2.375200     -0.7249000    
 C  -0.2386000      -2.728600     -0.2028000    
 C   0.4347000      -1.456100      0.2700000    
 C    1.918200      -1.382000      9.7599998E-02
 C    2.672600     -0.3294000      0.4614000    
 C    6.390800      0.8696000      0.4616000    
 C    4.112500     -0.2782000      0.2884000    
 C    4.898200      0.7533000      0.6385000    
 C    7.127700     -0.3298000     -0.1278000    
 H   -3.652100      0.2106000     -0.6893000    
 H   -5.354000      0.6375000     -0.4877000    
 H   -5.339600     -0.4508000       1.774100    
 H   -3.650800     -0.8846000       1.560900    
 H   -3.072200       1.545300       1.352400    
 H   -4.764500       1.967900       1.548800    
 H   -6.023000      -1.854500     -0.1106000    
 H   -5.161700      -2.782800       1.104800    
 H   -3.636300       3.826700      0.5145000    
 H   -4.786100       3.145200     -0.6273000    
 H   -4.537700      -3.456100      -1.175200    
 H   -4.035800      -1.830300      -1.587800    
 H   -2.936900       1.979500      -1.828800    
 H   -2.706300       3.730400      -1.778800    
 H   -2.686000      -3.613700      0.5752000    
 H   -1.640700      -1.667000      -1.549100    
 H  -0.2796000      -3.430300      0.6368000    
 H   0.3408000      -3.184700      -1.012100    
 H   0.3725000       1.920000      -1.050100    
 H    2.386300      -2.263800     -0.3321000    
 H    6.569200       1.739600     -0.1829000    
 H    6.828500       1.097600       1.440800    
 H    4.554300      -1.166300     -0.1543000    
 H    4.452400       1.638200       1.089300    
 H    6.981300      -1.225700      0.4847000    
 H    8.200400     -0.1185000     -0.1846000    
 H    1.204400      0.7709000       1.050400    
 H    7.148700      -1.353700      -1.779200    


%chk=000125425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125425

0 1
O 0.380698 2.025386 -0.142266
O -0.931028 2.696469 1.651699
O -0.102233 -1.140587 1.813071
O 1.798537 0.384579 1.427195
O 5.970336 -0.366767 -2.007685
C -4.064754 0.590225 -0.307992
C -4.676722 -0.584914 0.491409
C -3.847836 1.828352 0.594532
C -5.079055 -1.820642 -0.348945
C -3.238308 3.069001 -0.104055
C -3.903101 -2.539184 -1.071052
C -1.811504 2.866985 -0.660052
C -2.808279 -2.982115 -0.121356
C -0.783686 2.537745 0.415408
C -1.479217 -2.820669 -0.341944
C -0.377091 -3.235397 0.628529
C 0.474887 -2.034627 0.978260
C 1.747514 -1.786605 0.432755
C 2.403010 -0.529805 0.668682
C 5.699507 1.340681 -0.293470
C 3.709945 -0.246710 0.059418
C 4.359245 0.936508 0.269986
C 6.601472 0.212275 -0.806274
H -3.100695 0.268900 -0.749862
H -4.733655 0.855391 -1.155019
H -5.577122 -0.217353 1.026364
H -3.953762 -0.892022 1.274206
H -3.205265 1.550143 1.451751
H -4.827703 2.121746 1.025153
H -5.829239 -1.523231 -1.109910
H -5.581282 -2.554148 0.315687
H -3.216922 3.903187 0.622852
H -3.893834 3.384057 -0.941464
H -4.318479 -3.425335 -1.596656
H -3.473515 -1.884080 -1.852861
H -1.774058 2.068753 -1.422673
H -1.467838 3.788517 -1.171967
H -3.140430 -3.460466 0.814629
H -1.139355 -2.331956 -1.267600
H -0.827469 -3.647301 1.549807
H 0.267988 -4.013034 0.177237
H 1.016209 1.665436 0.566060
H 2.212459 -2.532187 -0.214953
H 5.535032 2.061627 -1.122780
H 6.255158 1.902584 0.484844
H 4.143532 -1.008338 -0.597286
H 3.857084 1.676311 0.911416
H 6.728083 -0.561853 -0.019326
H 7.598085 0.632828 -1.055887
H 0.578793 -0.308619 1.878227
H 6.601364 -0.993040 -2.442942


