%chk=000014687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014687

0 1
 O    4.732500     -0.7590000     -0.7931000    
 O   -6.228500     -0.1066000      0.3561000    
 C    1.541500      0.7877000      0.1120000    
 C    2.309100     -0.3646000     -0.5743000    
 C   8.9299999E-02  0.8996000     -0.3615000    
 C  -0.6495000     -0.4354000     -4.6100002E-02
 C    1.603100      -1.686700     -0.2212000    
 C    3.736300     -0.1429000      1.2200000E-02
 C    2.465200       1.989900     -6.8899997E-02
 C   0.1119000      -1.663800     -0.6045000    
 C   -2.128800     -0.3807000     -0.5306000    
 C    3.890000       1.400600     -2.2299999E-02
 C  -0.6413000       2.075200      0.3026000    
 C    2.364300     -0.2400000      -2.125900    
 C   -2.823600      0.8704000     -8.8000000E-03
 C   -2.081900       2.169100     -0.1906000    
 C   -2.882500      -1.675600     -0.1508000    
 C   -4.392500      -1.506900     -0.2457000    
 C    3.888100     -0.6372000       1.394800    
 C   -4.041700      0.8442000      0.5612000    
 C   -4.872800     -0.3975000      0.6865000    
 C    4.011600      -1.039800       2.519000    
 H    1.498800      0.5917000       1.195300    
 H   6.7900002E-02   1.073900      -1.444400    
 H  -0.6643000     -0.5489000       1.049300    
 H    1.657400      -1.883800      0.8557000    
 H    2.097300      -2.531800     -0.7154000    
 H    2.320000       2.735000      0.7201000    
 H    2.292400       2.488400      -1.029300    
 H   4.1999999E-03  -1.701800      -1.694400    
 H  -0.3393000      -2.586900     -0.2224000    
 H   -2.129600     -0.3061000      -1.627700    
 H    4.453800       1.726500     -0.9049000    
 H    4.432700       1.783100      0.8506000    
 H  -0.1304000       3.017600      7.4500002E-02
 H  -0.6286000       1.960600       1.394100    
 H    2.891800      -1.095800      -2.563400    
 H    1.374200     -0.2151000      -2.587800    
 H    2.886800      0.6632000      -2.456100    
 H   -2.085300       2.425000      -1.257700    
 H   -2.583200       2.993400      0.3308000    
 H   -2.622400      -1.980700      0.8713000    
 H   -2.576200      -2.492400     -0.8148000    
 H   -4.681800      -1.288600      -1.282500    
 H   -4.896800      -2.446400      1.1100000E-02
 H   -4.476400       1.766400      0.9391000    
 H    4.539800      -1.711700     -0.8323000    
 H   -4.849600     -0.7426000       1.726500    
 H    4.120200      -1.397000       3.516300    
 H   -6.550200      0.5620000      0.9851000    


%chk=000014687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014687

0 1
O 4.853102 -0.746996 -0.795095
O -6.346554 -0.155933 0.368054
C 1.549292 0.799377 0.081974
C 2.309589 -0.377285 -0.604917
C 0.082573 0.916658 -0.375051
C -0.658247 -0.420301 -0.053988
C 1.594320 -1.701504 -0.250354
C 3.755819 -0.156406 0.010133
C 2.496903 2.016527 -0.094696
C 0.090186 -1.652104 -0.636515
C -2.153847 -0.381416 -0.520205
C 3.934262 1.401482 -0.054760
C -0.647160 2.105065 0.290069
C 2.414522 -0.220302 -2.144535
C -2.858298 0.870749 0.011070
C -2.118161 2.184067 -0.184483
C -2.913377 -1.677096 -0.125067
C -4.444100 -1.517366 -0.224264
C 3.861261 -0.659124 1.398208
C -4.083376 0.826334 0.602976
C -4.931542 -0.424373 0.733947
C 4.000656 -1.096827 2.543071
H 1.524315 0.560777 1.169737
H 0.055200 1.080890 -1.475409
H -0.665587 -0.521593 1.056037
H 1.679342 -1.882267 0.839650
H 2.075102 -2.561262 -0.760937
H 2.350096 2.769710 0.698630
H 2.307140 2.520343 -1.061607
H -0.020403 -1.653776 -1.740307
H -0.390977 -2.580984 -0.277208
H -2.139075 -0.308505 -1.633449
H 4.509240 1.625194 -0.969938
H 4.523439 1.765765 0.802398
H -0.128496 3.053744 0.051335
H -0.615386 1.984342 1.392934
H 3.038937 -1.027750 -2.564057
H 1.422104 -0.268717 -2.623354
H 2.884099 0.733400 -2.439650
H -2.115090 2.432934 -1.268477
H -2.652150 3.005673 0.329100
H -2.637617 -1.951869 0.915124
H -2.590775 -2.514081 -0.770568
H -4.734727 -1.216236 -1.248709
H -4.958734 -2.469627 -0.001082
H -4.521978 1.756994 0.998203
H 4.914521 -1.714274 -0.583827
H -4.904400 -0.796882 1.784356
H 4.120786 -1.467658 3.544294
H -6.693750 0.569687 0.948012


