%chk=000041979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041979

0 1
 O   -3.226200       1.939300     -0.1890000    
 O   -4.729900      9.0599999E-02  0.1701000    
 O    3.475600      -1.538600     -0.3396000    
 C   -2.570700      0.7503000     -9.5500000E-02
 C    4.076400      0.7453000      0.1723000    
 C  -0.7337000     -0.7301000     -6.3000001E-02
 C   -3.429300     -0.3053000      0.1096000    
 C    5.533500      0.3152000      2.0500001E-02
 C   -1.205900      0.5689000     -0.1873000    
 C   -1.592700      -1.811800      0.1454000    
 C   -2.970700      -1.600500      0.2344000    
 C    3.106700     -0.3981000     -7.2499998E-02
 C   0.7163000     -0.9770000     -0.1535000    
 C   -4.593900       1.513600     -2.0199999E-02
 C    1.660200     -4.3299999E-02  3.1300001E-02
 C    6.484200       1.481200      0.2370000    
 H    3.907500       1.126800       1.185900    
 H    3.851300       1.542800     -0.5455000    
 H    5.765200     -0.4802000      0.7389000    
 H    5.698200     -0.1033000     -0.9797000    
 H  -0.5725000       1.428900     -0.3688000    
 H   -1.208800      -2.824400      0.2424000    
 H   -3.650500      -2.429200      0.3966000    
 H   0.9995000      -2.002800     -0.3776000    
 H   -5.164300       1.804900     -0.9096000    
 H   -5.015800       2.026300      0.8519000    
 H    1.442600      0.9881000      0.2824000    
 H    7.521500       1.150400      0.1251000    
 H    6.301100       2.277400     -0.4916000    
 H    6.367900       1.900600       1.241400    


%chk=000041979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041979

0 1
O -3.451775 1.955538 0.032139
O -4.880346 0.023659 0.010872
O 3.500884 -1.607886 0.001832
C -2.678487 0.768422 0.022727
C 4.186746 0.744476 0.075099
C -0.730127 -0.657498 0.012166
C -3.524922 -0.366621 0.010120
C 5.648929 0.264412 0.067950
C -1.293464 0.663743 0.024239
C -1.598306 -1.789320 -0.001009
C -3.010212 -1.665359 -0.001878
C 3.153050 -0.386065 0.032683
C 0.714262 -0.894673 0.012843
C -4.870984 1.514532 0.026088
C 1.725548 0.031767 0.033656
C 6.651217 1.434982 0.146910
H 3.984943 1.360412 0.978353
H 3.994694 1.421265 -0.785624
H 5.803446 -0.430764 0.914130
H 5.827949 -0.334071 -0.844735
H -0.663250 1.556042 0.033340
H -1.154467 -2.790744 -0.010155
H -3.665973 -2.538955 -0.011617
H 1.038536 -1.946330 -0.004836
H -5.360742 1.882972 -0.891156
H -5.362771 1.864248 0.949593
H 1.524012 1.111020 0.054396
H 7.693708 1.067924 0.142119
H 6.534092 2.124572 -0.711005
H 6.506612 2.024299 1.072561


