%chk=000164497.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164497

0 1
 O    3.237000       1.850000      0.6444000    
 O    4.444800     -0.2624000       1.754900    
 O    4.051200      -1.575100      -1.622500    
 C    4.066200       1.061600     -0.2065000    
 C    2.593700       1.250000     -0.4944000    
 C    4.522500     -0.2541000      0.3313000    
 C    1.614400      0.1230000     -0.2187000    
 C    3.686000      -1.397300     -0.2533000    
 C    2.184800      -1.176700     -0.1406000    
 C   0.1693000      0.3091000     -9.5399998E-02
 C  -0.6180000     -0.8808000     -3.1999999E-03
 C    1.375300      -2.295300     -4.4000000E-03
 C  -1.8000000E-03  -2.164600      4.6999998E-02
 C  -0.5547000       1.581900     -7.0600003E-02
 C   -2.040400     -0.8390000      3.2600001E-02
 C   -1.984100       1.610000     -6.8200000E-02
 C   -2.728500      0.3932000     -2.1000000E-02
 C   -2.787700      -2.056300      0.1150000    
 C  -0.7553000      -3.335600      0.1423000    
 C   7.6099999E-02   2.858200     -2.1199999E-02
 C   -2.136800      -3.283200      0.1748000    
 C   -4.150300      0.3421000     -4.4999998E-03
 C   -2.644400       2.872300     -9.6900001E-02
 C   -4.182400      -2.047700      0.1351000    
 C   -4.864600     -0.8500000      7.1300000E-02
 C  -0.6008000       4.079400     -3.7500001E-02
 C   -1.971300       4.087100     -9.0000004E-02
 H    4.790600       1.563200     -0.8327000    
 H    2.394900       1.868100      -1.366200    
 H    5.577700     -0.3928000      7.0299998E-02
 H    3.945600      -2.320000      0.2820000    
 H    1.836400      -3.281300      3.5200000E-02
 H    3.516900     -0.1263000       2.010500    
 H    4.998700      -1.791800      -1.648600    
 H  -0.2745000      -4.311400      0.1842000    
 H    1.146900       2.964000      6.3699998E-02
 H   -2.693700      -4.215400      0.2418000    
 H   -4.754900       1.243600     -4.5800000E-02
 H   -3.728100       2.948700     -0.1161000    
 H   -4.751500      -2.972700      0.1968000    
 H   -5.950200     -0.8357000      8.3700001E-02
 H  -4.5000002E-02   5.011400     -2.6000000E-03
 H   -2.521400       5.022100     -0.1062000    


%chk=000164497-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164497

0 1
O 3.257405 2.008985 0.492881
O 4.519691 -0.054160 1.650084
O 3.910135 -1.650144 -1.695089
C 3.962407 1.087898 -0.479463
C 2.479937 1.197709 -0.602572
C 4.532952 -0.171583 0.193882
C 1.593558 0.083091 -0.165380
C 3.698267 -1.396273 -0.243787
C 2.203244 -1.206197 -0.052909
C 0.175240 0.236815 -0.004862
C -0.633113 -0.956644 0.097979
C 1.413158 -2.337988 0.176518
C -0.000059 -2.248410 0.212103
C -0.515834 1.545225 0.044403
C -2.078032 -0.890760 0.039078
C -1.950932 1.607212 -0.087932
C -2.748279 0.369419 -0.133258
C -2.854518 -2.108181 0.103503
C -0.805930 -3.441687 0.332843
C 0.184814 2.769714 0.286293
C -2.182363 -3.375091 0.279042
C -4.159320 0.374116 -0.283325
C -2.588637 2.882811 -0.097763
C -4.268818 -2.051778 -0.025189
C -4.911347 -0.819749 -0.230026
C -0.470040 4.010693 0.288886
C -1.867034 4.073463 0.063620
H 4.597514 1.609224 -1.202845
H 2.075575 1.875434 -1.362991
H 5.586484 -0.317396 -0.110468
H 4.031861 -2.269845 0.351754
H 1.889427 -3.320795 0.271461
H 3.918464 0.716469 1.863222
H 4.834452 -1.988284 -1.824230
H -0.294532 -4.404195 0.446469
H 1.245687 2.756872 0.533348
H -2.791629 -4.283322 0.351182
H -4.694714 1.314148 -0.438546
H -3.674491 2.945392 -0.206095
H -4.847463 -2.981273 0.024145
H -5.999607 -0.779191 -0.345881
H 0.101488 4.924021 0.485272
H -2.386468 5.037734 0.054443


