%chk=000002988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002988

0 1
 O    4.911400     -0.9532000      0.1507000    
 O    4.242000      -1.915300      -1.818200    
 O   -1.274600       2.479100      -2.107400    
 O   -2.163200       3.709000     -0.2351000    
 O   -2.151000     -0.8430000       2.595900    
 O   -2.522700      -2.446900      -1.901700    
 O   -3.715800      -1.461600      0.3954000    
 C    2.891600      4.3400001E-02  0.8032000    
 C    2.597900     -0.9641000     -0.3031000    
 C    4.255800     -0.3976000       1.295900    
 C    2.943400       1.471500      0.2529000    
 C    1.876100      -2.206600      0.1995000    
 C    3.980900      -1.334600     -0.7755000    
 C    1.571200       2.087200      0.1564000    
 C   0.3831000      -2.007600      0.2517000    
 C   0.8395000       1.934000      -1.015000    
 C    1.066200       2.798900       1.249500    
 C  -0.3860000      -2.321900     -0.8590000    
 C  -0.1987000      -1.513200       1.409800    
 C  -0.4112000       2.515500      -1.056100    
 C  -0.2034000       3.377800       1.182000    
 C  -0.9186000       3.217900      1.2900000E-02
 C   -1.580400      -1.329200       1.458200    
 C   -1.767900      -2.137900     -0.8106000    
 C   -2.365100      -1.641600      0.3482000    
 C   -2.382800       3.236600      -1.579900    
 C   -2.279100      0.5735000       2.702400    
 C   -2.739200      -1.408600      -2.855100    
 C   -4.499400      -2.561500      0.8523000    
 H    2.180000      1.1100000E-02   1.633400    
 H    2.069800     -0.5222000      -1.151300    
 H    4.860800      0.4187000       1.701200    
 H    4.182900      -1.182200       2.056900    
 H    3.442700       1.513300     -0.7242000    
 H    3.552000       2.107100      0.9105000    
 H    2.089500      -3.063000     -0.4552000    
 H    2.244700      -2.516200       1.186400    
 H    1.226600       1.402000      -1.875800    
 H    1.649800       2.906400       2.160100    
 H   7.6700002E-02  -2.706900      -1.763900    
 H   0.4032000      -1.280800       2.283700    
 H  -0.6074000       3.930500       2.022500    
 H   -2.559400       4.100300      -2.231200    
 H   -3.276000       2.601400      -1.586900    
 H   -2.772600      0.9918000       1.819300    
 H   -1.293200       1.027500       2.836500    
 H   -2.888500      0.7971000       3.582100    
 H   -3.365800      -1.805600      -3.658300    
 H   -1.787900      -1.077400      -3.283600    
 H   -3.256700     -0.5620000      -2.392800    
 H   -4.230100      -2.826200       1.879600    
 H   -5.551300      -2.263800      0.8328000    
 H   -4.368900      -3.427100      0.1952000    


%chk=000002988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002988

0 1
O 5.250331 -1.079430 0.145417
O 4.490923 -2.383804 -1.619130
O -1.532083 2.000904 -1.906029
O -2.349143 3.226690 -0.018624
O -2.221487 -0.793842 2.554061
O -2.179454 -2.052838 -2.241001
O -3.639822 -0.992056 0.042129
C 3.182513 0.058021 0.770194
C 2.859334 -1.092430 -0.225359
C 4.617579 -0.300235 1.248913
C 3.109346 1.478943 0.119427
C 2.002403 -2.271028 0.352602
C 4.236731 -1.609307 -0.683141
C 1.686605 2.020559 0.067287
C 0.512444 -1.962796 0.311457
C 0.822595 1.726207 -1.030412
C 1.193807 2.772973 1.165564
C -0.183427 -2.089915 -0.914714
C -0.186517 -1.503160 1.452177
C -0.500211 2.162130 -0.943694
C -0.150324 3.230653 1.232897
C -0.981892 2.890702 0.164539
C -1.554771 -1.165503 1.363657
C -1.555258 -1.769396 -1.014517
C -2.256581 -1.301115 0.133239
C -2.772789 2.425974 -1.199081
C -2.807961 0.566303 2.568640
C -2.989134 -0.989265 -2.876933
C -4.511618 -2.001856 0.695257
H 2.488124 0.044412 1.629389
H 2.335624 -0.719149 -1.122266
H 5.258242 0.578967 1.422730
H 4.616002 -0.942717 2.148075
H 3.564361 1.443316 -0.889542
H 3.730076 2.167665 0.723938
H 2.211656 -3.168127 -0.259882
H 2.330979 -2.491912 1.385917
H 1.174964 1.173695 -1.906198
H 1.871161 3.008329 1.994750
H 0.320540 -2.459388 -1.814626
H 0.306938 -1.401749 2.424544
H -0.516002 3.821457 2.076763
H -3.363153 3.066278 -1.870317
H -3.314100 1.525437 -0.850501
H -3.552900 0.685812 1.762449
H -2.010283 1.323282 2.458440
H -3.288814 0.663534 3.553943
H -3.313237 -1.420604 -3.836233
H -2.365968 -0.092793 -3.050072
H -3.860833 -0.733150 -2.251286
H -4.267412 -2.078414 1.769910
H -5.541917 -1.638743 0.558834
H -4.385287 -2.983722 0.203618


