%chk=000099618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099618

0 1
 O   0.4859000      0.7471000       2.170400    
 O    2.434900       1.889000       1.571700    
 O    1.149500       3.017900     -0.5869000    
 O   -2.407100      -1.885800      0.2961000    
 O    3.596100     -0.5138000       1.736700    
 O    2.798100       1.175000      -1.591800    
 O   -4.428500      -2.067900     -0.8071000    
 C  -0.8950000      7.6600000E-02  0.2034000    
 C    1.664400     -1.4900000E-02  0.2468000    
 C   0.3764000     -0.6784000     -0.3672000    
 C  -0.7869000       1.542100     -0.3851000    
 C    1.273100       1.235800       1.066100    
 C   0.3767000       2.260700      0.3370000    
 C    2.474100      -1.077000       1.063100    
 C   -2.148000       2.338000     -0.5270000    
 C   -2.234800     -0.5669000     -0.2207000    
 C  -0.7309000      0.1162000       1.749000    
 C   0.3843000      -2.218500     -0.2299000    
 C    2.943100      -2.049600     -2.6100000E-02
 C    2.657600      0.1840000     -0.8968000    
 C    1.746900      -2.863800     -0.5422000    
 C   -3.248800       1.734500      0.3630000    
 C   -3.475800      0.2401000      0.1749000    
 C    3.425900      -1.083500      -1.080600    
 C   -2.615700       2.274400      -2.006100    
 C   -2.056000       3.841100     -0.1798000    
 C    4.394500      -1.242500      -1.983300    
 C   -3.554800      -2.521800     -8.0600001E-02
 C   -3.599300      -3.888300      0.5330000    
 H   0.3815000     -0.5095000      -1.455100    
 H  -0.4537000       1.425000      -1.427100    
 H   3.0000000E-03   2.961100       1.089500    
 H    1.871900      -1.573100       1.830900    
 H   -2.209100     -0.6599000      -1.315000    
 H   -1.545600      0.6501000       2.241300    
 H  -0.7337000     -0.8931000       2.173800    
 H  -0.3590000      -2.660900     -0.9029000    
 H   9.2100002E-02  -2.509300      0.7857000    
 H    3.761500      -2.695100      0.3101000    
 H    1.762300      -3.856100     -7.4000001E-02
 H    1.832700      -3.039100      -1.622100    
 H   -4.202600       2.255100      0.1992000    
 H   -3.006200       1.928400       1.414600    
 H   -3.941900     -0.1514000       1.088500    
 H   -4.232500      0.1553000     -0.6141000    
 H   -3.591700       2.756900      -2.135000    
 H   -1.905400       2.792100      -2.661600    
 H   -2.709000       1.248600      -2.372700    
 H   -1.856400       4.002600      0.8844000    
 H   -1.270100       4.336700     -0.7595000    
 H   -2.997800       4.356900     -0.4036000    
 H    2.207600       2.814400       1.761700    
 H    1.387400       2.446900      -1.334800    
 H    4.093900      5.3900000E-02   1.126400    
 H    4.938500      -2.178500      -2.050300    
 H    4.666700     -0.4517000      -2.673500    
 H   -3.600300      -3.804700       1.622600    
 H   -2.742400      -4.475100      0.1923000    
 H   -4.516000      -4.396700      0.2208000    


%chk=000099618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099618

0 1
O 0.443909 0.503516 2.339235
O 2.360508 1.753920 1.858284
O 1.181875 3.187888 -0.102905
O -2.531575 -1.846928 0.439940
O 3.857275 -0.389601 1.367571
O 2.476560 1.358250 -1.616137
O -3.744075 -2.512290 -1.442183
C -0.937813 0.052847 0.293049
C 1.636440 -0.040117 0.305391
C 0.302758 -0.770853 -0.228670
C -0.734242 1.522069 -0.313878
C 1.214983 1.120185 1.245632
C 0.329534 2.210431 0.581049
C 2.610759 -1.053533 0.992576
C -2.040232 2.370037 -0.598652
C -2.294733 -0.501501 -0.196124
C -0.895320 0.077733 1.845380
C 0.366873 -2.289960 0.071696
C 2.934047 -1.997929 -0.187864
C 2.462115 0.274214 -0.955783
C 1.696565 -2.923047 -0.437672
C -3.198268 1.887983 0.314660
C -3.520835 0.381083 0.159277
C 3.175216 -0.992877 -1.317434
C -2.437935 2.192700 -2.094129
C -1.824010 3.889208 -0.358460
C 3.879497 -1.141008 -2.467363
C -3.305498 -2.755269 -0.294856
C -3.527490 -4.024342 0.498098
H 0.278523 -0.675727 -1.335424
H -0.248439 1.375541 -1.300574
H -0.134981 2.773672 1.408870
H 2.154177 -1.554447 1.864058
H -2.249557 -0.674477 -1.287890
H -1.652449 0.765425 2.263685
H -1.075500 -0.929696 2.255269
H -0.478156 -2.798269 -0.420407
H 0.251358 -2.469946 1.155105
H 3.838551 -2.593889 0.016325
H 1.851107 -3.887021 0.082225
H 1.620639 -3.150160 -1.517832
H -4.105018 2.481685 0.088386
H -2.941197 2.118086 1.367496
H -3.947780 -0.000020 1.105890
H -4.287232 0.224058 -0.619923
H -3.386075 2.721167 -2.307622
H -1.658175 2.621004 -2.751109
H -2.573915 1.135248 -2.383327
H -1.707538 4.129635 0.714134
H -0.926072 4.260691 -0.879547
H -2.705201 4.447771 -0.726271
H 2.412490 2.674390 1.467193
H 1.671702 2.693881 -0.843330
H 3.606940 0.481108 1.802445
H 4.404699 -2.070494 -2.714055
H 3.951761 -0.309528 -3.178615
H -4.291420 -3.845527 1.276453
H -2.601613 -4.335165 1.009322
H -3.882915 -4.822207 -0.170162


