%chk=000042297.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042297

0 1
 O    3.007800      -1.672000       1.521900    
 O    4.326100     -0.8468000      -1.702400    
 C    1.697800     -0.2319000      0.1031000    
 C  -0.6945000      0.3106000      2.7700000E-02
 C   0.3382000     -0.6635000      5.6899998E-02
 C    2.851000      -1.222900      0.1721000    
 C    1.994300       1.146700      0.1522000    
 C   -2.061400     -7.9300001E-02 -2.9400000E-02
 C  -0.3766000       1.687900      6.1799999E-02
 C    4.210200     -0.6640000     -0.2908000    
 C   0.9612000       2.088200      0.1317000    
 C   -2.409200      -1.447700     -5.1199999E-02
 C   -3.085500      0.8981000     -6.2100001E-02
 C  -5.3199999E-02  -2.020000      4.5499999E-02
 C    3.378900       1.621300      0.2366000    
 C    4.401900      0.7890000      1.4700000E-02
 C   -1.402800       2.641400      3.0700000E-02
 C   -1.394900      -2.405000     -1.0300000E-02
 C   -2.739800       2.252500     -3.2800000E-02
 C   -3.759800      -1.822400     -0.1095000    
 C   -4.427800      0.4957000     -0.1213000    
 C   -4.761800     -0.8560000     -0.1452000    
 H    2.617300      -2.096000     -0.4470000    
 H    5.028900      -1.223800      0.1776000    
 H    1.201900       3.150600      0.1666000    
 H   0.6837000      -2.818300      8.4700003E-02
 H    3.561400       2.670700      0.4422000    
 H    5.416900       1.175100      3.9299998E-02
 H   -1.171700       3.704700      5.5799998E-02
 H   -1.632900      -3.466800     -1.9300001E-02
 H   -3.508100       3.022500     -5.6100000E-02
 H   -4.043500      -2.872600     -0.1270000    
 H   -5.227100       1.233400     -0.1479000    
 H    3.655700      -2.397100       1.516600    
 H   -5.804500      -1.156700     -0.1903000    
 H    4.318800      -1.803500      -1.876200    


%chk=000042297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042297

0 1
O 2.906263 -1.683943 1.582394
O 4.381327 -0.812104 -1.776140
C 1.711811 -0.226502 0.104992
C -0.706033 0.333013 0.031042
C 0.352132 -0.652672 0.058115
C 2.845506 -1.233154 0.166898
C 2.020465 1.164714 0.159116
C -2.083053 -0.074369 -0.030286
C -0.378983 1.737281 0.077203
C 4.228374 -0.695535 -0.302671
C 0.980626 2.122429 0.150926
C -2.423663 -1.475290 -0.057746
C -3.133635 0.915454 -0.061254
C -0.027094 -2.053054 0.053748
C 3.422075 1.607196 0.211612
C 4.465692 0.756694 0.019250
C -1.450093 2.710526 0.049284
C -1.351443 -2.444568 -0.005980
C -2.773436 2.316412 -0.020445
C -3.789787 -1.859497 -0.123151
C -4.487876 0.488772 -0.127767
C -4.810106 -0.884708 -0.159756
H 2.612388 -2.104662 -0.486021
H 5.006839 -1.321652 0.194086
H 1.233676 3.189249 0.191447
H 0.754652 -2.813994 0.127945
H 3.607119 2.673974 0.389191
H 5.501296 1.111313 0.018922
H -1.187769 3.774432 0.083364
H -1.612262 -3.509630 -0.005330
H -3.576340 3.062549 -0.044027
H -4.045953 -2.925263 -0.143075
H -5.284763 1.241302 -0.152556
H 3.646390 -2.340994 1.676399
H -5.858940 -1.196547 -0.210707
H 4.401497 -1.775072 -2.020120


