%chk=000005161.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005161

0 1
 O   0.2525000      0.6356000      0.5695000    
 O   -2.476700      -1.246100      -1.866500    
 O  -0.1638000      0.2074000      -1.684300    
 O    2.455500      -2.775300      7.2700001E-02
 O   0.8589000      -1.910400       1.440000    
 C    1.614000      0.6985000      0.2607000    
 C   -1.967400      0.3277000     -0.1292000    
 C    2.377300     -0.4472000      0.3098000    
 C   -2.876100     -0.4817000     -0.8111000    
 C    2.140400       1.924300     -8.6199999E-02
 C  -0.5673000      0.3787000     -0.5265000    
 C    3.734100     -0.3640000     -3.0000000E-03
 C   -2.396000       1.103700      0.9478000    
 C    3.497200       2.007500     -0.3991000    
 C    4.294100      0.8633000     -0.3574000    
 C   -4.213500     -0.5149000     -0.4161000    
 C   -3.733300       1.070400       1.342800    
 C   -4.642100      0.2612000      0.6608000    
 C    1.812300      -1.738700      0.6752000    
 H    1.521000       2.815300     -0.1180000    
 H    4.383600      -1.234700      3.2400001E-02
 H   -1.717000       1.756100       1.490600    
 H    3.933400       2.963300     -0.6743000    
 H    5.351100      0.9292000     -0.5982000    
 H   -4.932700      -1.140300     -0.9383000    
 H   -4.068300       1.677200       2.179000    
 H   -5.683600      0.2363000      0.9679000    
 H   -3.242300      -1.737400      -2.210600    
 H    2.068100      -3.640900      0.3240000    


%chk=000005161-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005161

0 1
O 0.209184 0.891828 0.076003
O -2.876681 -0.451519 -2.413151
O -0.151076 -0.680757 -1.633780
O 2.706158 -2.523559 1.146784
O 0.569431 -1.643961 1.268672
C 1.613631 0.834642 -0.076692
C -2.015417 0.068222 -0.206991
C 2.391432 -0.293204 0.319525
C -3.124961 -0.197380 -1.062784
C 2.233782 1.993213 -0.587232
C -0.619587 -0.009692 -0.701807
C 3.803639 -0.224777 0.164684
C -2.264752 0.362407 1.159855
C 3.636746 2.045018 -0.718543
C 4.424711 0.928952 -0.348416
C -4.444320 -0.166444 -0.546167
C -3.574570 0.389246 1.674715
C -4.666554 0.122329 0.815088
C 1.769413 -1.495327 0.931829
H 1.599993 2.835293 -0.880075
H 4.396591 -1.093180 0.462320
H -1.403583 0.545787 1.806191
H 4.110804 2.948749 -1.116276
H 5.513439 0.961599 -0.457010
H -5.293406 -0.366777 -1.212718
H -3.744676 0.606359 2.733535
H -5.691200 0.138408 1.202328
H -3.724270 -0.606717 -2.901374
H 2.229501 -3.294655 1.555886


