%chk=000177810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177810

0 1
 O    4.474000      0.7008000      0.3165000    
 O   -5.191900      -1.667600      0.5132000    
 O    6.075700     -0.5001000     -0.8367000    
 O   -6.493000      0.7459000      0.3310000    
 C    2.036300      0.3614000      0.1651000    
 C    1.246200     -0.8525000     -0.3637000    
 C  -0.2298000     -0.7958000      2.9700000E-02
 C  -0.8647000      0.4817000     -0.5989000    
 C    3.444400     -2.4700001E-02 -0.3270000    
 C    1.453100       1.626400     -0.4763000    
 C    2.091500      -2.045100      7.4199997E-02
 C  -6.0699999E-02   1.753900     -0.2183000    
 C    3.540200      -1.534900     -3.4499999E-02
 C   -1.011100      -2.023500     -0.4422000    
 C    2.029600      0.5199000       1.707200    
 C   -2.362400      0.5530000     -0.3135000    
 C   -2.435100      -1.971800      0.1031000    
 C   -3.094300     -0.6203000     -2.6100000E-02
 C   -3.065900       1.766200     -0.4165000    
 C   -4.479900     -0.5438000      0.2005000    
 C    5.756400      0.3628000     -3.0099999E-02
 C   -4.443900       1.826400     -0.1978000    
 C   -5.150500      0.6726000      0.1154000    
 C    6.735800       1.209000      0.7255000    
 H    1.283200     -0.8426000      -1.466100    
 H  -0.3166000     -0.7505000       1.123000    
 H  -0.7892000      0.3857000      -1.693300    
 H    3.516800      0.1459000      -1.410500    
 H    1.617200       1.605200      -1.561600    
 H    1.966900       2.521500     -0.1056000    
 H    1.928700      -2.919700     -0.5638000    
 H    1.866300      -2.340200       1.105100    
 H  -0.2413000       2.005700      0.8337000    
 H  -0.4128000       2.612800     -0.8013000    
 H    4.091600      -1.752400      0.8873000    
 H    4.055000      -2.053700     -0.8509000    
 H  -0.5365000      -2.951200     -0.1035000    
 H   -1.031700      -2.057400      -1.539200    
 H    2.612900       1.398500       2.006500    
 H    1.024400      0.6560000       2.114400    
 H    2.466000     -0.3439000       2.218400    
 H   -2.418400      -2.239400       1.167500    
 H   -3.026400      -2.732500     -0.4208000    
 H   -2.558200       2.690100     -0.6768000    
 H   -4.950800       2.784300     -0.2802000    
 H    6.614700       1.044900       1.799200    
 H    6.583600       2.262200      0.4770000    
 H    7.753800      0.9268000      0.4422000    
 H   -6.125000      -1.419600      0.6338000    
 H   -6.781000       1.669200      0.2285000    


%chk=000177810-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177810

0 1
O 4.539579 0.608225 0.422933
O -5.286461 -1.583265 0.433792
O 6.025095 0.069269 -1.296943
O -6.545727 0.783566 0.257165
C 2.064892 0.259679 0.235987
C 1.242510 -0.957602 -0.302687
C -0.250975 -0.862255 0.053281
C -0.827737 0.444417 -0.581144
C 3.467072 -0.182325 -0.249741
C 1.512297 1.548966 -0.414347
C 2.069362 -2.198639 0.133620
C -0.012906 1.704588 -0.164625
C 3.557408 -1.705063 0.072478
C -1.075693 -2.070903 -0.436894
C 2.049711 0.376343 1.783300
C -2.339871 0.572282 -0.330662
C -2.526727 -1.984968 0.076943
C -3.121080 -0.589498 -0.047746
C -2.989624 1.829889 -0.421266
C -4.513614 -0.446156 0.144210
C 5.781806 0.655062 -0.216907
C -4.384582 1.963862 -0.237644
C -5.143235 0.817026 0.046049
C 6.751880 1.502933 0.579616
H 1.304392 -0.906358 -1.415778
H -0.360897 -0.804115 1.157526
H -0.686466 0.327419 -1.681824
H 3.572430 -0.014173 -1.338992
H 1.696171 1.508343 -1.508972
H 2.044233 2.441393 -0.030455
H 1.895029 -3.064527 -0.528573
H 1.796553 -2.513026 1.158621
H -0.208864 1.929337 0.901908
H -0.362670 2.584596 -0.736466
H 4.067564 -1.844009 1.042989
H 4.151510 -2.233522 -0.691183
H -0.619137 -3.017793 -0.091524
H -1.063429 -2.090692 -1.546478
H 2.745810 1.172015 2.099954
H 1.045992 0.625967 2.166046
H 2.370397 -0.559150 2.274575
H -2.562777 -2.288629 1.143781
H -3.177960 -2.706630 -0.450338
H -2.409183 2.730065 -0.640697
H -4.862984 2.948218 -0.314896
H 6.876222 1.085811 1.593982
H 6.357279 2.527611 0.692651
H 7.724529 1.533576 0.068065
H -6.235246 -1.301773 0.523809
H -6.948676 1.680215 0.176303


