%chk=000003906.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003906

0 1
 O    5.708700      -3.163800      0.4021000    
 O   -4.321200      -2.142100       1.460200    
 O   -8.588200       2.144900     -0.8128000    
 O   -8.624600     -0.1302000     -0.8310000    
 C    5.429000       1.198500     -0.5665000    
 C    4.836600       2.470500      -1.177400    
 C    5.498900      7.2899997E-02  -1.601000    
 C    4.717800       3.628600     -0.1818000    
 C    6.011800      -1.255100      -1.033200    
 C    3.905100       3.340200       1.085900    
 C    5.138100      -1.901400      5.2800000E-02
 C    2.435600       3.016300      0.8131000    
 C    1.675900       2.751400       2.104100    
 C    3.727500      -2.153800     -0.3997000    
 C   -4.346400     -0.1134000      0.1325000    
 C   -5.842400     -0.2786000     -0.1712000    
 C   -3.649000      -1.453100      0.4105000    
 C   -6.542100       1.062800     -0.3956000    
 C    2.652600      -1.675800      0.2459000    
 C   -2.196900      -1.229200      0.7552000    
 C    1.292600      -1.938500     -0.1667000    
 C   -1.136400      -1.718600      9.3300000E-02
 C   0.2288000      -1.452400      0.4906000    
 C   -8.011800      0.9198000     -0.7093000    
 H    6.430500       1.404100     -0.1710000    
 H    4.806300      0.8732000      0.2713000    
 H    5.467100       2.796500      -2.014000    
 H    3.850200       2.251800      -1.603000    
 H    6.170600      0.3809000      -2.412200    
 H    4.514100     -7.5300001E-02  -2.059300    
 H    4.280300       4.491300     -0.6995000    
 H    5.727700       3.931800      0.1219000    
 H    6.132300      -1.964700      -1.863500    
 H    7.024600      -1.114700     -0.6329000    
 H    3.954000       4.230700       1.726000    
 H    4.370100       2.532300       1.661600    
 H    5.163200      -1.282500      0.9565000    
 H    2.353500       2.129600      0.1753000    
 H    1.964100       3.848400      0.2780000    
 H   0.6280000       2.522100       1.886500    
 H    2.104300       1.900200       2.643100    
 H    1.703400       3.625600       2.762400    
 H    3.597600      -2.774700      -1.283600    
 H   -4.250900      0.5356000       1.013300    
 H   -3.854600      0.3994000     -0.7035000    
 H   -5.964900     -0.9103000      -1.059900    
 H   -6.339500     -0.8021000      0.6545000    
 H   -3.729000      -2.081300     -0.4850000    
 H    5.183900      -3.534100       1.132700    
 H   -6.446000       1.676900      0.5071000    
 H   -6.068500       1.588300      -1.232400    
 H    2.793000      -1.061200       1.131900    
 H   -2.022700     -0.6137000       1.637400    
 H    1.152000      -2.562200      -1.046500    
 H   -1.294900      -2.339200     -0.7846000    
 H   0.3739000     -0.8286000       1.370200    
 H   -3.846700      -2.976600       1.616400    
 H   -9.548400       2.082300      -1.003700    


%chk=000003906-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003906

0 1
O 6.017179 -3.233501 0.144111
O -4.270513 -1.757890 1.813439
O -8.728318 2.024268 -0.926801
O -8.446120 -0.232113 -1.389287
C 5.394351 1.164532 -0.573944
C 4.834030 2.507614 -1.095260
C 5.486940 0.090409 -1.682720
C 4.660635 3.594270 -0.003317
C 6.075662 -1.265554 -1.226183
C 3.721371 3.208599 1.169997
C 5.288183 -1.957788 -0.092714
C 2.285954 2.824439 0.739648
C 1.356820 2.552631 1.943051
C 3.846146 -2.238057 -0.438024
C -4.327818 0.058749 0.235350
C -5.793216 -0.222868 -0.159391
C -3.563658 -1.223595 0.616285
C -6.566136 1.080299 -0.436671
C 2.782222 -1.702757 0.240988
C -2.112449 -0.975119 0.941595
C 1.383240 -1.940900 -0.074169
C -1.066614 -1.574500 0.288662
C 0.335803 -1.348032 0.596658
C -7.969138 0.840080 -0.958521
H 6.396144 1.326923 -0.123709
H 4.741273 0.793784 0.239494
H 5.509813 2.898234 -1.883851
H 3.861185 2.320501 -1.593859
H 6.111259 0.481015 -2.511840
H 4.474287 -0.072173 -2.105007
H 4.272231 4.517830 -0.480244
H 5.657825 3.851927 0.409863
H 6.113249 -1.965929 -2.083109
H 7.117092 -1.134101 -0.872977
H 3.665362 4.064513 1.873949
H 4.163432 2.370254 1.746482
H 5.327886 -1.336714 0.827684
H 2.315152 1.926298 0.091179
H 1.861382 3.640783 0.120065
H 0.340206 2.266219 1.614001
H 1.754747 1.734129 2.574410
H 1.264960 3.449352 2.584527
H 3.680232 -2.913155 -1.291417
H -4.290811 0.748108 1.102537
H -3.792121 0.550304 -0.600794
H -5.827540 -0.866381 -1.059253
H -6.283091 -0.790114 0.651094
H -3.637947 -1.958690 -0.216481
H 5.518140 -3.753537 0.825586
H -6.635992 1.711521 0.468938
H -6.038314 1.697792 -1.192906
H 2.986460 -1.028238 1.088795
H -1.919931 -0.275153 1.769078
H 1.163984 -2.630371 -0.903867
H -1.288967 -2.275446 -0.532030
H 0.560877 -0.650517 1.418527
H -3.754000 -2.529887 2.159634
H -9.634419 1.837406 -1.295781


