%chk=000016636.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016636

0 1
 O    1.647600      0.2886000     -0.6202000    
 O    1.200900      -1.664100      0.5942000    
 O    3.524200       2.336700      6.1799999E-02
 C   0.7495000     -0.8329000     -0.4942000    
 C    2.397400      0.2994000      0.5964000    
 C    2.492600      -1.164300      0.9408000    
 C  -0.6755000     -0.3602000     -0.2475000    
 C   0.8258000      -1.641800      -1.788500    
 C    3.737400      0.9720000      0.3899000    
 C   -1.556800      -1.155700      0.4846000    
 C   -1.100100      0.8681000     -0.7532000    
 C   -2.863400     -0.7226000      0.7108000    
 C   -2.406500       1.301400     -0.5269000    
 C   -3.288200      0.5060000      0.2049000    
 C   -4.684900      0.9693000      0.4471000    
 H    1.797800      0.8454000       1.335500    
 H    3.233900      -1.691000      0.3295000    
 H    2.702400      -1.347500       1.997700    
 H    1.853100      -1.977900      -1.971500    
 H   0.1968000      -2.537600      -1.740800    
 H   0.5235000      -1.044000      -2.655600    
 H    4.295500      0.5161000     -0.4344000    
 H    4.346900      0.9274000       1.297200    
 H   -1.252400      -2.121100      0.8792000    
 H  -0.4349000       1.500300      -1.334800    
 H   -3.542200      -1.353000       1.279000    
 H   -2.727000       2.258700     -0.9293000    
 H    2.971800       2.362400     -0.7383000    
 H   -5.340200      0.6242000     -0.3587000    
 H   -5.068400      0.5874000       1.399400    
 H   -4.735600       2.062400      0.4970000    


%chk=000016636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016636

0 1
O 1.710216 0.478288 -0.783813
O 1.458477 -1.569999 0.318363
O 4.234819 1.669225 -0.698386
C 0.835995 -0.724197 -0.719365
C 2.379954 0.621857 0.549565
C 1.892096 -0.610164 1.357153
C -0.591088 -0.324736 -0.318014
C 0.915512 -1.462043 -2.052566
C 3.890673 0.635568 0.277429
C -1.449851 -1.281011 0.277751
C -1.085110 0.975287 -0.574921
C -2.778127 -0.938149 0.608755
C -2.416218 1.311389 -0.242705
C -3.287507 0.361116 0.348792
C -4.728098 0.715448 0.675247
H 2.053687 1.580446 0.991850
H 2.690419 -1.105174 1.933050
H 1.045184 -0.350121 2.019554
H 1.962238 -1.734160 -2.264741
H 0.301081 -2.377157 -2.015977
H 0.532334 -0.817650 -2.861058
H 4.204875 -0.371705 -0.071344
H 4.450285 0.894981 1.193318
H -1.064761 -2.283120 0.497965
H -0.415134 1.717497 -1.021255
H -3.429245 -1.686311 1.077703
H -2.783351 2.325764 -0.442277
H 3.627878 1.539883 -1.473989
H -5.395059 0.492332 -0.180384
H -5.101609 0.139044 1.539974
H -4.839564 1.789670 0.905426


