%chk=000099510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099510

0 1
 O    1.732700      0.4744000      0.1390000    
 O   -1.728800      0.4679000     -0.1414000    
 O    2.892100     -0.4449000      -1.630100    
 O   -2.913600     -0.4239000       1.625100    
 C  -2.0999999E-03   2.194600     -2.2000000E-03
 C    1.004100       1.301000     -0.7607000    
 C   -1.016900       1.312000      0.7548000    
 C   0.7534000       3.098100      0.9909000    
 C  -0.7689000       3.087200     -0.9949000    
 C    3.340100      -1.183800      0.6460000    
 C   -3.323800      -1.203900     -0.6446000    
 C    2.656100     -0.3614000     -0.4319000    
 C   -2.659000     -0.3606000      0.4293000    
 C    2.555300      -2.467300      0.8898000    
 C    4.784000      -1.491400      0.2577000    
 C   -2.531800      -2.489100     -0.8534000    
 C   -4.772800      -1.508900     -0.2735000    
 H   0.4809000      0.6685000      -1.489000    
 H    1.712100       1.933200      -1.312200    
 H  -0.4998000      0.6917000       1.497800    
 H   -1.734100       1.948400       1.289400    
 H    1.494400       3.719200      0.4756000    
 H   6.3100003E-02   3.768300       1.515600    
 H    1.279000       2.508700       1.750100    
 H   -1.510800       3.708000     -0.4804000    
 H  -8.4700003E-02   3.758400      -1.526300    
 H   -1.294500       2.492100      -1.749700    
 H    3.364800     -0.5882000       1.567200    
 H   -3.335600     -0.6245000      -1.576300    
 H    3.015700      -3.063100       1.684400    
 H    2.507200      -3.082100     -1.5900001E-02
 H    1.525200      -2.242800       1.187800    
 H    5.297400      -2.028200       1.062100    
 H    5.337300     -0.5672000      5.8600001E-02
 H    4.833800      -2.107300     -0.6472000    
 H   -2.978200      -3.100100      -1.644600    
 H   -2.496300      -3.087800      6.3600004E-02
 H   -1.497800      -2.266800      -1.139000    
 H   -5.272100      -2.061200      -1.076400    
 H   -5.331700     -0.5830000     -9.9299997E-02
 H   -4.835200      -2.109000      0.6411000    


%chk=000099510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099510

0 1
O 1.721382 0.749723 0.061468
O -1.719539 0.740764 -0.066955
O 1.224812 -1.098193 -1.280523
O -1.223016 -1.096290 1.289868
C -0.003676 2.531802 -0.007068
C 0.950016 1.649195 -0.843573
C -0.952226 1.648018 0.833801
C 0.800686 3.422141 0.976153
C -0.812828 3.413087 -0.994472
C 2.590241 -1.386645 0.767609
C -2.585389 -1.402223 -0.757469
C 1.770853 -0.616370 -0.261052
C -1.768318 -0.622775 0.266045
C 1.897338 -2.727145 1.105387
C 4.023585 -1.606977 0.206010
C -1.884390 -2.739612 -1.091621
C -4.015508 -1.630473 -0.190928
H 0.399306 1.030475 -1.573108
H 1.692014 2.277336 -1.368532
H -0.397868 1.035213 1.565557
H -1.696896 2.274489 1.357026
H 1.438399 4.131897 0.417171
H 0.123273 4.014327 1.619453
H 1.454929 2.811134 1.622309
H -1.454241 4.122082 -0.438767
H -0.138578 4.005815 -1.640595
H -1.463795 2.795534 -1.637683
H 2.657420 -0.758279 1.673698
H -2.659070 -0.778023 -1.665887
H 2.496480 -3.282128 1.849792
H 1.802295 -3.348547 0.197222
H 0.886186 -2.559115 1.514672
H 4.633738 -2.150058 0.949775
H 4.523780 -0.647553 -0.017652
H 3.988334 -2.209175 -0.719578
H -2.481012 -3.300804 -1.833389
H -1.784674 -3.357256 -0.181378
H -0.874746 -2.566779 -1.502537
H -4.623675 -2.181471 -0.930485
H -4.522346 -0.673849 0.029835
H -3.973077 -2.228092 0.737297


