%chk=000176624.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176624

0 1
 O   -2.668500     -5.6299999E-02  -1.655600    
 O   0.9068000      -2.146900       1.558700    
 O   -3.682900      -2.138900     -0.2363000    
 O   -5.492800      0.9427000     -3.2200001E-02
 O   -5.870900     -0.9706000      -1.263100    
 O    6.478100      0.2092000      -1.973300    
 C   -1.372400     -0.3508000      0.4294000    
 C  -0.5541000      0.9181000      0.1037000    
 C   0.8709000      0.8925000      0.6756000    
 C    1.637300     -0.3320000      6.1099999E-02
 C   -2.732700      4.2300001E-02 -0.2267000    
 C  -0.6412000      -1.549600     -0.2095000    
 C   -1.490700       2.057900      0.4977000    
 C   0.8378000      -1.664000      0.2247000    
 C   -2.904700       1.531000      0.1703000    
 C    3.152400     -0.3727000      0.5096000    
 C    1.597300       2.214500      0.3684000    
 C   -1.563700     -0.5820000       1.952900    
 C   -3.931600     -0.8086000      0.1831000    
 C    3.057400       2.186900      0.8025000    
 C    3.759400      0.9994000      0.1956000    
 C    3.355500     -0.6541000       2.015700    
 C    3.885600      -1.481100     -0.2321000    
 C    4.823400       1.179600     -0.6028000    
 C   -5.200900     -0.3155000     -0.4753000    
 C    4.944100      -1.307900      -1.029700    
 C    5.496400      3.9700001E-02  -1.258100    
 C   -6.695100       1.517300     -0.5544000    
 H  -0.4418000      0.9880000     -0.9910000    
 H   0.8291000      0.7903000       1.764600    
 H    1.651100     -0.1527000      -1.028000    
 H  -0.6476000      -1.458800      -1.302100    
 H   -1.163800      -2.480800      3.6600001E-02
 H   -1.273400       2.975000     -5.9500001E-02
 H   -1.407800       2.292900       1.565000    
 H    1.297700      -2.432700     -0.4066000    
 H   -3.511200       1.663400       1.073100    
 H   -3.333300       2.126300     -0.6437000    
 H    1.095400       3.045400      0.8781000    
 H    1.543300       2.426700     -0.7078000    
 H   -2.028000      -1.556800       2.141000    
 H  -0.6270000     -0.5649000       2.512700    
 H   -2.204100      0.1750000       2.416800    
 H   -4.100900     -0.8181000       1.264700    
 H    3.126600       2.142700       1.895400    
 H    3.533500       3.129200      0.5046000    
 H    3.179200      -1.704500       2.271600    
 H    4.387400     -0.4366000       2.322200    
 H    2.699900     -4.9199998E-02   2.649200    
 H   -2.688800     -0.9981000      -1.896500    
 H    3.540200      -2.501600     -8.1699997E-02
 H   0.4389000      -2.998500       1.591000    
 H    5.220800       2.167300     -0.8113000    
 H    5.427000      -2.147400      -1.516200    
 H   -4.402700      -2.694900      0.1079000    
 H   -6.809500       2.515400     -0.1233000    
 H   -7.559800      0.9103000     -0.2699000    
 H   -6.628100       1.610400      -1.642500    


%chk=000176624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176624

0 1
O -2.661154 0.102935 -1.685814
O 1.009153 -2.209539 1.496921
O -3.625823 -2.131616 -0.286987
O -5.744666 0.834487 0.073056
O -5.885454 -1.088195 -1.226037
O 6.511786 -0.088405 -2.104693
C -1.336793 -0.303015 0.429581
C -0.510757 0.995712 0.166827
C 0.926230 0.943952 0.727043
C 1.669343 -0.273759 0.090810
C -2.723309 0.133011 -0.208630
C -0.606316 -1.466601 -0.278056
C -1.451204 2.136246 0.617205
C 0.879971 -1.611521 0.143836
C -2.869991 1.632357 0.200032
C 3.192096 -0.363755 0.570335
C 1.677291 2.257454 0.389509
C -1.537092 -0.593203 1.942237
C -3.917841 -0.776798 0.200934
C 3.191112 2.208318 0.735410
C 3.837022 0.963340 0.163344
C 3.348870 -0.550553 2.122035
C 3.864356 -1.558948 -0.076220
C 4.900173 1.027096 -0.697452
C -5.265618 -0.359953 -0.407930
C 4.929666 -1.476676 -0.922903
C 5.520575 -0.170125 -1.302989
C -7.050926 1.284218 -0.483129
H -0.423663 1.074351 -0.939789
H 0.889739 0.823134 1.827971
H 1.730828 -0.052045 -0.999386
H -0.615737 -1.278724 -1.370452
H -1.130364 -2.428718 -0.114555
H -1.204748 3.099562 0.138459
H -1.388393 2.287974 1.711988
H 1.355512 -2.311412 -0.577482
H -3.605324 1.757484 1.012108
H -3.258645 2.180859 -0.673944
H 1.207715 3.105861 0.922431
H 1.566339 2.456293 -0.696781
H -2.056541 -1.559686 2.080964
H -0.570178 -0.667035 2.462669
H -2.138724 0.190970 2.437795
H -4.029190 -0.786938 1.300900
H 3.304538 2.218728 1.838256
H 3.697192 3.112436 0.351046
H 2.926206 -1.518584 2.427286
H 4.420138 -0.509360 2.389276
H 2.823566 0.237810 2.686930
H -2.709673 -0.856944 -1.946281
H 3.468942 -2.538739 0.223465
H 0.349871 -2.945573 1.569440
H 5.339659 1.991680 -0.981461
H 5.403026 -2.369072 -1.349154
H -4.431377 -2.440037 -0.792772
H -7.260448 2.230243 0.033570
H -7.827408 0.530006 -0.274970
H -6.961057 1.431813 -1.571501


