%chk=000014421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014421

0 1
 O    3.642200      -1.242800     -0.3189000    
 O    5.002300      0.5236000      0.5409000    
 O  -3.3900000E-02   1.673600     -0.3432000    
 O  -0.6840000      -3.128500      0.2302000    
 O   -4.623500      0.1684000      0.4233000    
 O   -1.759100       3.140100     -0.5017000    
 O   -4.271300       2.177200     -0.5260000    
 C    2.895000       1.086000     -0.5353000    
 C    1.786900      0.1343000     -0.2985000    
 C    4.100100      0.1182000     -0.5161000    
 C    2.282500      -1.151100     -0.1971000    
 C   0.4225000      0.3586000     -0.1955000    
 C  -0.4632000     -0.6947000      2.8500000E-02
 C    3.224400       1.987300      0.5887000    
 C   -1.899600     -0.3851000      0.1396000    
 C   7.2899997E-02  -1.997700      0.1172000    
 C    1.449600      -2.232300      7.4999998E-03
 C   -2.863600      -1.487500      0.4781000    
 C   -2.336500      0.8748000     -5.0999999E-02
 C    4.389000       1.617800       1.107000    
 C   -4.062200     -0.9010000       1.191500    
 C   -1.383500       1.986100     -0.3222000    
 C   -3.808100       1.138600     -6.4999998E-02
 C   -1.079100      -3.764100     -0.9821000    
 H    2.805400       1.605100      -1.494200    
 H    4.654700      0.1540000      -1.462200    
 H    2.628700       2.822700      0.9234000    
 H    1.854400      -3.237700      6.9200002E-02
 H   -3.182300      -1.992700     -0.4395000    
 H   -2.458200      -2.213800       1.184900    
 H    4.923500       2.062300       1.927500    
 H   -4.837500      -1.663400       1.319100    
 H   -3.806500     -0.5190000       2.187400    
 H  -0.2487000      -4.358600      -1.375500    
 H   -1.914000      -4.435400     -0.7628000    
 H   -1.399800      -3.037500      -1.736000    


%chk=000014421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014421

0 1
O 3.532889 -1.165427 -0.771657
O 5.036166 0.429946 0.276272
O -0.063956 1.789002 -0.137990
O -0.995648 -3.009294 -0.293987
O -4.796219 0.470590 0.438495
O -1.664365 3.404197 0.161408
O -4.319909 2.487972 -0.519695
C 2.862834 1.209054 -0.534965
C 1.693183 0.244671 -0.465650
C 4.076486 0.242919 -0.805679
C 2.153870 -1.076352 -0.568325
C 0.328250 0.464895 -0.263873
C -0.612671 -0.621192 -0.165438
C 3.239915 1.824018 0.814259
C -2.006519 -0.274982 0.048280
C -0.073593 -1.959528 -0.317080
C 1.304862 -2.196090 -0.508349
C -3.085890 -1.314981 0.306720
C -2.420104 1.070322 0.048192
C 4.433855 1.326999 1.211727
C -4.216190 -0.702283 1.134429
C -1.473866 2.190487 0.022646
C -3.875011 1.436313 -0.023758
C -0.499260 -4.380352 -0.484228
H 2.733301 1.974835 -1.318613
H 4.619728 0.328011 -1.756331
H 2.607228 2.527199 1.352308
H 1.718094 -3.199073 -0.618536
H -3.477983 -1.702073 -0.654310
H -2.662042 -2.183982 0.832441
H 5.036319 1.498367 2.101972
H -5.058698 -1.399556 1.259834
H -3.850717 -0.382340 2.130132
H 0.201335 -4.665746 0.322308
H -1.397263 -5.013086 -0.442366
H -0.008911 -4.487660 -1.469395


