%chk=000157984.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157984

0 1
 O   -1.488900       2.343000      3.4699999E-02
 O   -3.661400      0.6742000     -0.5496000    
 O   -6.380100      -1.427200      0.4212000    
 O   -4.096900      -1.747700      0.5321000    
 C    3.957600      0.9209000      0.4147000    
 C    4.127200     -0.6082000      0.6829000    
 C    3.499100      -1.529700     -0.3733000    
 C    2.471400       1.309200      0.3110000    
 C    4.579500       1.688700       1.608600    
 C    4.792800       1.305000     -0.8304000    
 C    3.675100      -3.002500      7.8999996E-03
 C    3.090100      -3.926800      -1.059800    
 C    2.033600       1.896800     -0.8481000    
 C    1.656400       1.048800       1.382400    
 C   0.6871000       2.248500     -0.9422000    
 C   0.3099000       1.400400       1.288400    
 C    3.233100      -5.389300     -0.6698000    
 C  -0.1749000       2.000300      0.1261000    
 C   -2.077100       2.320200      -1.265000    
 C   -3.545800       1.964400      -1.137300    
 C   -5.021200      0.2971000     -0.3849000    
 C   -5.074200      -1.072300      0.2393000    
 C   -6.592300      -2.713900       1.011000    
 H    5.198300     -0.8414000      0.7578000    
 H    3.703000     -0.8658000       1.662200    
 H    2.429900      -1.317600     -0.4816000    
 H    3.966400      -1.355400      -1.348500    
 H    4.136300       1.404100       2.569200    
 H    4.449800       2.771700       1.494200    
 H    5.655300       1.490300       1.685700    
 H    5.839300       1.001700     -0.7027000    
 H    4.799200       2.389100     -0.9973000    
 H    4.436100      0.8208000      -1.745400    
 H    4.741100      -3.224600      0.1398000    
 H    3.183300      -3.193100      0.9697000    
 H    3.596700      -3.757600      -2.017100    
 H    2.028500      -3.698000      -1.209400    
 H    2.658800       2.117800      -1.703400    
 H    2.009400      0.5802000       2.294300    
 H   0.3561000       2.739700      -1.852600    
 H  -0.3575000       1.203300       2.123000    
 H    2.707800      -5.598700      0.2674000    
 H    4.286100      -5.659800     -0.5417000    
 H    2.809300      -6.032100      -1.447600    
 H   -1.968100       3.306400      -1.729000    
 H   -1.609600       1.555300      -1.898400    
 H   -4.047500       2.694600     -0.4916000    
 H   -4.019800       1.967800      -2.125000    
 H   -5.515300      0.2584000      -1.361400    
 H   -5.523000       1.007100      0.2809000    
 H   -6.147800      -2.750500       2.010100    
 H   -6.173200      -3.497000      0.3720000    
 H   -7.670200      -2.873400       1.100400    


%chk=000157984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157984

0 1
O -1.582297 1.625539 0.338818
O -4.327913 0.716753 -0.578059
O -7.326773 -1.028136 0.437191
O -5.780472 -1.596944 -1.218727
C 4.194898 0.992250 0.166531
C 4.574852 -0.467245 0.597668
C 4.054495 -1.599723 -0.315088
C 2.657719 1.164560 0.145607
C 4.797639 1.978852 1.213910
C 4.842489 1.310396 -1.206590
C 4.408190 -3.004248 0.224961
C 3.902118 -4.151038 -0.679651
C 1.939942 1.585490 -0.998551
C 1.898484 0.907580 1.324247
C 0.533624 1.751273 -0.987308
C 0.502808 1.062829 1.359298
C 4.256965 -5.551332 -0.134504
C -0.189641 1.489677 0.199030
C -2.338857 2.056758 -0.843949
C -3.809712 2.085295 -0.462421
C -5.677277 0.603557 -0.056611
C -6.208429 -0.789848 -0.374501
C -8.012010 -2.324197 0.212563
H 5.682272 -0.525687 0.658467
H 4.201328 -0.645240 1.627030
H 2.954586 -1.512810 -0.418096
H 4.477106 -1.490595 -1.334420
H 4.407389 1.782330 2.228964
H 4.552394 3.025142 0.954509
H 5.899321 1.878487 1.248898
H 5.934586 1.146549 -1.147173
H 4.677423 2.365452 -1.493997
H 4.451241 0.669556 -2.016633
H 5.509472 -3.090164 0.342296
H 3.977753 -3.126085 1.241425
H 4.330205 -4.028837 -1.695804
H 2.802460 -4.064151 -0.794090
H 2.471879 1.793419 -1.931853
H 2.406898 0.575694 2.236962
H 0.027413 2.075306 -1.901838
H -0.071462 0.858892 2.268469
H 3.815988 -5.709390 0.868087
H 5.352758 -5.674564 -0.040828
H 3.882181 -6.352497 -0.797999
H -2.002150 3.068377 -1.153454
H -2.189698 1.348762 -1.683243
H -3.916590 2.468866 0.574766
H -4.368121 2.756601 -1.152782
H -6.364416 1.345885 -0.525378
H -5.712682 0.763034 1.041348
H -7.322064 -3.159329 0.419029
H -8.364795 -2.395596 -0.830251
H -8.854716 -2.322303 0.917624


