%chk=000005691.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005691

0 1
 O  -0.7708000      -2.280100     -0.2480000    
 O    3.290000      -1.105100     -0.9437000    
 O    2.447600       3.102900      0.4974000    
 O   -4.654700     -9.2600003E-02  -1.292300    
 O  -0.2972000       3.473800       1.290800    
 O    2.830000      -2.671200       1.257600    
 O    5.222900      0.1144000      -1.041600    
 O   -2.574400      -3.420400      -1.133500    
 C   -3.281000      0.3348000      0.6770000    
 C   -2.305100       1.521100      0.8889000    
 C  -0.4219000      0.1393000     -0.1700000    
 C   -2.559900      -1.004100      0.6242000    
 C    1.006100     -8.8000000E-03 -0.8039000    
 C  -0.8682000       1.288300      0.4263000    
 C   -1.402800      -1.011200     -0.3782000    
 C   -2.990400       2.670700      0.1162000    
 C   -3.928700      0.6686000     -0.6639000    
 C   -3.559700       2.041800      -1.147100    
 C   -4.385200      0.3102000       1.741500    
 C    1.835300       1.152900     -0.4034000    
 C    1.903200      -1.245600     -0.4181000    
 C   7.2999999E-02   2.469500      0.6936000    
 C    1.406600       2.267900      0.2405000    
 C   0.8313000      1.2400000E-02  -2.344000    
 C    3.232700       1.195900     -0.4169000    
 C    2.006800      -1.536000       1.082900    
 C    4.019800      6.2899999E-02 -0.8199000    
 C    3.573900       2.437100      7.2099999E-02
 C   -1.581500      -3.366400     -0.4203000    
 C   -1.076700      -4.512200      0.4034000    
 C    2.979200      -3.011000       2.632600    
 H   -2.257600       1.774400       1.956600    
 H   -3.299500      -1.780700      0.4026000    
 H   -2.171400      -1.254600       1.622500    
 H   -1.785500     -0.9301000      -1.404000    
 H   -2.334100       3.508600     -0.1341000    
 H   -3.808300       3.080100      0.7231000    
 H   -2.803400       1.954400      -1.932100    
 H   -4.435900       2.583000      -1.510300    
 H   -4.960000       1.242600       1.755800    
 H   -5.098200     -0.5004000       1.551000    
 H   -3.964100      0.1590000       2.741400    
 H    1.535900      -2.144900     -0.9249000    
 H    1.793200      5.1399998E-02  -2.868400    
 H   0.3055000     -0.8817000      -2.697500    
 H   0.2570000      0.8887000      -2.670100    
 H    1.020000      -1.726200       1.516400    
 H    2.462100     -0.6946000       1.616600    
 H    4.507500       2.951100      0.2488000    
 H   -1.095000      -4.242200       1.462300    
 H  -6.2700003E-02  -4.774000      9.0899996E-02
 H   -1.723800      -5.380900      0.2528000    
 H    3.621800      -3.892700       2.700200    
 H    2.007400      -3.251000       3.074500    
 H    3.451900      -2.190200       3.180500    


%chk=000005691-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005691

0 1
O -0.833532 -2.297831 0.248129
O 3.106892 -1.223031 -1.000374
O 2.488505 3.126722 0.404381
O -4.769784 -0.193754 -1.141918
O -0.377559 3.602260 1.282078
O 2.341369 -2.926474 1.382172
O 5.103982 -0.111823 -1.310594
O -1.551348 -3.264114 -1.756964
C -3.361647 0.498118 0.784131
C -2.364733 1.687321 0.892427
C -0.510561 0.131744 -0.011587
C -2.679395 -0.877067 0.892869
C 0.877482 -0.058489 -0.676848
C -0.927423 1.362061 0.478051
C -1.517470 -1.011840 -0.101592
C -2.993359 2.792878 -0.040534
C -4.025531 0.665939 -0.613809
C -3.636148 2.018869 -1.211195
C -4.487810 0.614514 1.850720
C 1.750852 1.106909 -0.351276
C 1.764802 -1.308654 -0.298645
C 0.003105 2.544475 0.688903
C 1.353011 2.298324 0.209336
C 0.620174 -0.113008 -2.230846
C 3.177671 1.136748 -0.492967
C 1.976962 -1.520923 1.204554
C 3.913121 -0.055250 -0.951152
C 3.590874 2.387668 -0.040483
C -0.987944 -3.381244 -0.647494
C -0.374256 -4.626879 -0.057517
C 2.775760 -3.219567 2.748761
H -2.328030 2.083698 1.923525
H -3.419661 -1.670757 0.685823
H -2.288635 -1.022866 1.917587
H -1.905106 -1.127732 -1.135151
H -2.251681 3.538631 -0.360077
H -3.768431 3.337506 0.528801
H -2.904759 1.832229 -2.024571
H -4.505431 2.514000 -1.676780
H -4.972067 1.607430 1.827041
H -5.265336 -0.149526 1.674006
H -4.067208 0.464903 2.861961
H 1.359606 -2.229707 -0.733386
H 1.575321 -0.229279 -2.769433
H -0.021365 -0.975152 -2.483970
H 0.127507 0.812946 -2.572395
H 1.035847 -1.300284 1.750219
H 2.781617 -0.858481 1.591370
H 4.559412 2.872069 0.042599
H -1.039507 -5.024858 0.730543
H 0.595732 -4.389035 0.414297
H -0.253959 -5.389486 -0.840645
H 3.024026 -4.291804 2.768835
H 1.972489 -3.010532 3.486662
H 3.676561 -2.629617 3.017219


