%chk=000155319.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155319

0 1
 O   -1.336000      -2.181400     -0.6700000    
 O   0.1050000     -0.3705000      -2.369600    
 O    2.202400     -0.5768000       1.378300    
 O    1.526500      -1.915300     -0.4240000    
 O    3.670100       1.158100       1.718100    
 C   -1.469800      0.2988000     -0.5862000    
 C   -1.409200      -1.064100      0.2285000    
 C   -1.812100       1.473300      0.4177000    
 C  -8.8399999E-02  0.5590000      -1.299600    
 C  -0.1649000      -1.139200       1.165300    
 C   -2.692500      -1.292700       1.050900    
 C    1.155800     -0.8495000      0.4417000    
 C   -3.085200       1.194600       1.242500    
 C    1.043400      0.4112000     -0.3323000    
 C   -3.038300     -0.1368000       1.977700    
 C   -2.554900      0.2098000      -1.697000    
 C   -1.958000       2.855400     -0.2376000    
 C    1.966300       1.297300      4.1700002E-02
 C    2.730000      0.6572000       1.124700    
 C    2.237700       2.681600     -0.4077000    
 C    1.327600     -0.1274000      -3.045100    
 C    1.644500      -3.142600      0.2820000    
 H  -0.9879000       1.567400       1.136000    
 H  -0.1017000       1.555900      -1.749400    
 H  -0.1420000      -2.110300       1.671000    
 H  -0.2661000     -0.4137000       1.982400    
 H   -2.598700      -2.215500       1.638900    
 H   -3.543900      -1.478500      0.3833000    
 H   -3.970600       1.221200      0.5962000    
 H   -3.227300       1.993900       1.981000    
 H   -2.311400     -7.8100003E-02   2.795500    
 H   -4.010200     -0.3262000       2.448700    
 H   -2.382400     -0.6244000      -2.384700    
 H   -3.561800      8.4700003E-02  -1.290400    
 H   -2.560800       1.114700      -2.314100    
 H   -2.152500       3.616800      0.5268000    
 H   -1.048600       3.163700     -0.7582000    
 H   -2.792500       2.889000     -0.9442000    
 H   -2.200600      -2.305300      -1.095000    
 H    2.098800       3.385500      0.4190000    
 H    1.577900       2.988800      -1.223600    
 H    3.268300       2.769700     -0.7656000    
 H    1.420700      0.9234000      -3.339500    
 H    1.322900     -0.7272000      -3.960400    
 H    2.199300     -0.4399000      -2.464400    
 H    2.160700      -3.035000       1.240900    
 H    2.240900      -3.819000     -0.3385000    
 H   0.6696000      -3.618600      0.4151000    


%chk=000155319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155319

0 1
O -1.361161 -2.192381 -0.740064
O -0.034266 -0.437306 -2.373772
O 2.135994 -0.542464 1.558147
O 1.606529 -1.872772 -0.357705
O 3.609342 1.238030 1.939639
C -1.523068 0.324889 -0.580707
C -1.460937 -1.062207 0.203353
C -1.813475 1.490238 0.446088
C -0.133580 0.572042 -1.287332
C -0.250237 -1.140132 1.192836
C -2.769110 -1.307040 0.987045
C 1.089562 -0.841540 0.506412
C -3.100547 1.211194 1.273788
C 0.997216 0.442263 -0.304736
C -3.100948 -0.166779 1.973610
C -2.610751 0.277783 -1.689298
C -1.920004 2.892256 -0.203215
C 1.929331 1.339736 0.119330
C 2.685501 0.738073 1.273046
C 2.242961 2.732746 -0.343004
C 1.207061 -0.344639 -3.155189
C 1.717776 -3.217073 0.246795
H -0.965572 1.525970 1.161669
H -0.123053 1.575930 -1.757919
H -0.247374 -2.149886 1.638381
H -0.363553 -0.419730 2.020377
H -2.679478 -2.274029 1.517668
H -3.584119 -1.430259 0.250381
H -3.986317 1.290823 0.612041
H -3.209028 2.014071 2.029461
H -2.371543 -0.158440 2.808076
H -4.090737 -0.351317 2.433095
H -2.567699 -0.677932 -2.233088
H -3.623834 0.384625 -1.266059
H -2.462384 1.089998 -2.422818
H -2.143006 3.646088 0.574723
H -0.986433 3.208255 -0.702733
H -2.736291 2.932347 -0.946649
H -0.708989 -1.923946 -1.453471
H 2.041352 3.467408 0.458571
H 1.660465 3.015401 -1.235601
H 3.319227 2.820370 -0.578236
H 1.340368 0.683175 -3.550780
H 1.083376 -1.048889 -3.992703
H 2.080266 -0.635987 -2.543874
H 2.215718 -3.160905 1.231112
H 2.344262 -3.787680 -0.455873
H 0.721287 -3.687381 0.325980


