%chk=000094202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094202

0 1
 O   -5.114600       1.115900      1.5000000E-03
 O    5.776400      8.9800000E-02  0.4248000    
 C   -1.966600     -0.6967000      0.3577000    
 C  -0.5384000     -0.7782000     -0.1841000    
 C   -2.697600      0.5816000     -9.7599998E-02
 C   0.2665000      0.4493000      0.3378000    
 C    1.715900      0.4133000     -0.2231000    
 C   -1.941900       1.789000      0.4710000    
 C  -0.4621000       1.785400      4.7499999E-02
 C   -4.076000      0.3217000      0.5412000    
 C   -2.955200      -1.810600      2.3900000E-02
 C   0.1530000      -2.085600      0.2174000    
 C    2.403300     -0.9251000      0.1526000    
 C   -4.333800      -1.174000      0.2768000    
 C    1.582400      -2.133800     -0.3107000    
 C   -2.836500      0.7375000      -1.633300    
 C    2.576500       1.589200      0.2811000    
 C    3.820700      -1.008200     -0.4198000    
 C    3.999700       1.542800     -0.2611000    
 C    4.628600      0.1965000     -3.7000000E-03
 H   -1.887700     -0.6805000       1.457900    
 H  -0.5611000     -0.7483000      -1.280600    
 H   0.3332000      0.3631000       1.433000    
 H    1.659100      0.4821000      -1.319000    
 H   -1.988400       1.776900       1.567800    
 H   -2.413400       2.726800      0.1537000    
 H  -0.3800000       2.025400      -1.018900    
 H   3.1500001E-02   2.602500      0.5857000    
 H   -4.046300      0.4947000       1.624500    
 H   -2.804300      -2.694600      0.6516000    
 H   -2.866600      -2.126700      -1.021400    
 H  -0.3985000      -2.945100     -0.1803000    
 H   0.1616000      -2.189100       1.309800    
 H    2.479900     -0.9687000       1.249200    
 H   -4.999100      -1.333700     -0.5792000    
 H   -4.820000      -1.630600       1.146200    
 H    2.059300      -3.061100      2.9200001E-02
 H    1.561300      -2.172800      -1.407400    
 H   -3.362700       1.667000      -1.880200    
 H   -1.870800      0.7771000      -2.143700    
 H   -3.402600     -8.1799999E-02  -2.087400    
 H    2.604200       1.575800       1.378200    
 H    2.137900       2.546400     -1.8800000E-02
 H    3.809500      -1.046600      -1.514900    
 H    4.323300      -1.910700     -5.4299999E-02
 H    4.605100       2.319200      0.2183000    
 H    4.010900       1.721900      -1.341700    
 H   -4.877900       2.046800      0.1523000    


%chk=000094202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094202

0 1
O -5.230509 1.130964 0.059941
O 5.833453 0.085016 0.601023
C -1.974092 -0.695067 0.341875
C -0.536556 -0.787082 -0.201246
C -2.713913 0.603514 -0.106375
C 0.279863 0.443727 0.317326
C 1.743431 0.407760 -0.225242
C -1.930898 1.817001 0.447934
C -0.440159 1.787786 0.007146
C -4.101067 0.334001 0.560558
C -2.989412 -1.831588 0.037697
C 0.160781 -2.108655 0.194358
C 2.431183 -0.937992 0.150783
C -4.388628 -1.164622 0.270335
C 1.610909 -2.156753 -0.329360
C -2.888448 0.719564 -1.641870
C 2.599260 1.598358 0.279882
C 3.885182 -1.006172 -0.399669
C 4.063706 1.550727 -0.240846
C 4.712092 0.197950 0.036267
H -1.884780 -0.633649 1.452948
H -0.568171 -0.743360 -1.312562
H 0.337141 0.341780 1.427083
H 1.694540 0.464365 -1.338036
H -1.977761 1.800444 1.558265
H -2.387053 2.773592 0.117840
H -0.368075 1.993780 -1.080414
H 0.086065 2.618348 0.514310
H -3.988943 0.501785 1.656854
H -2.834007 -2.709096 0.689598
H -2.884301 -2.183041 -1.006347
H -0.411273 -2.970255 -0.200669
H 0.160901 -2.205199 1.301098
H 2.486170 -0.980314 1.261774
H -5.028606 -1.225948 -0.627628
H -4.946540 -1.633265 1.099127
H 2.108347 -3.091948 -0.004114
H 1.600767 -2.169915 -1.440079
H -3.593584 1.537172 -1.875464
H -1.933220 0.932276 -2.150807
H -3.307272 -0.201346 -2.083537
H 2.606054 1.594113 1.389546
H 2.152669 2.558767 -0.034050
H 3.837773 -1.017505 -1.509659
H 4.392052 -1.931019 -0.071470
H 4.680078 2.347992 0.209297
H 4.053734 1.706349 -1.340290
H -5.111184 2.071860 0.346371


