%chk=000005952.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005952

0 1
 O    4.253000       1.541100     -0.8165000    
 O    5.626400     -0.6560000     -0.1055000    
 O   -6.905000      -1.545300       1.014900    
 O    5.941900      -2.614100       1.079200    
 C   7.8800000E-02   1.506000      0.4650000    
 C    1.186300      0.6301000     -0.1586000    
 C   -1.299400       1.258700     -0.1573000    
 C   -1.684000     -0.2397000      5.1399998E-02
 C   -3.112000     -0.5905000     -0.5199000    
 C    2.401700       1.163100      0.6319000    
 C   0.8325000     -0.8374000      0.1175000    
 C  -0.5602000      -1.198400     -0.4298000    
 C   0.6716000       2.910300      0.4196000    
 C    2.166900       2.686200      0.7088000    
 C   -2.366600       2.167400      0.4658000    
 C    1.375100      0.8466000      -1.682800    
 C   -4.131900      0.4398000     -1.7600000E-02
 C   -3.740200       1.894100     -0.1333000    
 C   -3.502400      -2.012200     -2.0700000E-02
 C   -3.135400     -0.5785000      -2.065100    
 C    3.729500      0.8199000      3.1500001E-02
 C   -4.981700      -2.328200     -0.1759000    
 C   -5.335900      0.1210000      0.4862000    
 C   -5.816600      -1.279400      0.5088000    
 C    4.379900     -0.4545000      0.5263000    
 C    6.315600      -1.783800      0.2618000    
 C    7.611800      -1.866400     -0.4857000    
 H  -7.4000000E-03   1.247300       1.534000    
 H   -1.257600       1.485300      -1.228100    
 H   -1.743300     -0.3836000       1.142900    
 H    2.386600      0.7767000       1.660400    
 H   0.8479000      -1.034700       1.197000    
 H    1.571700      -1.508300     -0.3335000    
 H  -0.5190000      -1.216300      -1.523400    
 H  -0.7830000      -2.223600     -0.1142000    
 H   0.2191000       3.573700       1.163600    
 H   0.5348000       3.372600     -0.5642000    
 H    2.771500       3.269700      6.6999998E-03
 H    2.417200       3.047600       1.713300    
 H   -2.112700       3.220100      0.2959000    
 H   -2.401400       2.020000       1.553000    
 H    1.687800       1.866900      -1.926200    
 H    2.139500      0.1681000      -2.079100    
 H   0.4634000      0.6524000      -2.253800    
 H   -3.741600       2.179400      -1.192600    
 H   -4.473000       2.544500      0.3600000    
 H   -3.245500      -2.109300       1.043500    
 H   -2.926600      -2.780900     -0.5499000    
 H   -2.736800      0.3527000      -2.479200    
 H   -2.547500      -1.402000      -2.483900    
 H   -4.155200     -0.6865000      -2.452900    
 H   -5.192000      -3.298000      0.2888000    
 H   -5.278600      -2.383400      -1.227900    
 H   -6.026100      0.8777000      0.8437000    
 H    3.720200      -1.297000      0.3043000    
 H    4.528700     -0.3626000       1.607700    
 H    8.230100     -0.9963000     -0.2512000    
 H    7.416600      -1.922000      -1.559600    
 H    8.149700      -2.768800     -0.1815000    


%chk=000005952-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005952

0 1
O 4.441718 0.991085 -0.755526
O 5.424944 -1.461286 0.045287
O -7.136098 -1.329330 1.029688
O 6.888065 -0.138906 1.295767
C 0.120798 1.400613 0.417127
C 1.189889 0.412083 -0.154401
C -1.279768 1.223507 -0.206629
C -1.755243 -0.246518 0.032576
C -3.205386 -0.546299 -0.536108
C 2.449422 0.910365 0.672087
C 0.716953 -1.028528 0.150932
C -0.697624 -1.286565 -0.436593
C 0.813353 2.782875 0.350565
C 2.315938 2.470438 0.663484
C -2.296127 2.215065 0.402067
C 1.441401 0.600179 -1.674153
C -4.170922 0.540486 -0.027158
C -3.718947 1.982993 -0.160329
C -3.660511 -1.946398 -0.016869
C -3.231428 -0.524864 -2.098497
C 3.786401 0.406580 0.143256
C -5.175169 -2.204854 -0.152537
C -5.408408 0.249128 0.489894
C -5.994692 -1.105539 0.520635
C 4.304187 -0.886232 0.794388
C 6.696046 -0.925498 0.345097
C 7.721959 -1.445981 -0.630879
H 0.015126 1.143162 1.497529
H -1.217546 1.421438 -1.297761
H -1.843050 -0.354584 1.139752
H 2.317556 0.524385 1.705270
H 0.687036 -1.179820 1.251176
H 1.417701 -1.779730 -0.265715
H -0.632466 -1.288330 -1.540918
H -1.017439 -2.302641 -0.140680
H 0.385396 3.501664 1.070950
H 0.703242 3.226343 -0.657343
H 2.990795 2.894037 -0.099923
H 2.624194 2.885879 1.638994
H -1.985861 3.256776 0.195702
H -2.310197 2.092188 1.504861
H 1.885123 1.583914 -1.901117
H 2.147126 -0.163310 -2.049000
H 0.510197 0.505728 -2.257677
H -3.713287 2.256338 -1.237496
H -4.447702 2.653799 0.330077
H -3.383788 -2.029051 1.054144
H -3.107719 -2.738876 -0.554378
H -2.845538 0.425615 -2.506752
H -2.621130 -1.345551 -2.514957
H -4.262747 -0.650392 -2.473462
H -5.461270 -3.178239 0.283498
H -5.469875 -2.238044 -1.221514
H -6.053632 1.052210 0.870110
H 3.519453 -1.660739 0.813478
H 4.616269 -0.651592 1.832635
H 7.644836 -0.867717 -1.569414
H 7.533055 -2.503927 -0.873221
H 8.732595 -1.318233 -0.216418


