%chk=000005864.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005864

0 1
 O  -0.1128000      -1.762300      -1.960700    
 O    2.815800      8.6700000E-02   2.015800    
 O   -4.862900     -0.6896000       2.739300    
 O    5.256900      0.5537000     -6.7500003E-02
 O    5.684100      -2.088700      0.5927000    
 C   -1.232100     -0.2633000     -0.2988000    
 C  -0.5556000       1.121800     -0.5689000    
 C   0.7816000       1.172200      0.1868000    
 C    1.775400      6.8400003E-02 -0.2387000    
 C   -2.669800     -0.3585000     -0.9513000    
 C   -3.543100      0.8433000     -0.4523000    
 C  -0.2714000      -1.458700     -0.5842000    
 C    1.117800      -1.291600      7.1800001E-02
 C    2.986400      0.4606000      0.6517000    
 C   -1.459800       2.285800     -0.1331000    
 C    1.618600       2.447100      0.1210000    
 C   -2.864000       2.195400     -0.7182000    
 C    3.020700       2.004700      0.5883000    
 C   -3.397200      -1.682200     -0.5758000    
 C   -3.944200      0.7190000       1.032000    
 C    2.201900      0.1605000      -1.730200    
 C   -2.631600     -0.3146000      -2.501400    
 C   -3.765100      -1.790500      0.8991000    
 C   -4.624400     -0.6122000       1.337800    
 C    4.300300     -0.1476000      0.2583000    
 C    4.374500      -1.659400      0.2864000    
 H   -1.379500     -0.2992000      0.7900000    
 H  -0.3695000       1.235700      -1.641300    
 H   0.5365000       1.027000       1.252200    
 H   -4.484200      0.8432000      -1.021700    
 H  -0.7152000      -2.355400     -0.1356000    
 H   0.9899000      -1.403700       1.155700    
 H    1.764700      -2.110200     -0.2588000    
 H   -1.014500       3.237700     -0.4468000    
 H   -1.520500       2.324400      0.9612000    
 H    1.218200       3.234400      0.7680000    
 H    1.661000       2.846600     -0.8985000    
 H   -3.477500       3.007900     -0.3096000    
 H   -2.812700       2.375800      -1.798600    
 H    3.755600       2.401600     -0.1204000    
 H    3.240400       2.448600       1.566300    
 H   -2.800000      -2.553200     -0.8670000    
 H   -4.326500      -1.758000      -1.158200    
 H   -3.081000      0.8428000       1.696200    
 H   -4.625600       1.537500       1.299500    
 H    2.801400       1.050200      -1.947800    
 H    2.799000     -0.7085000      -2.024800    
 H    1.346300      0.1938000      -2.408500    
 H   -2.013500      0.4992000      -2.888300    
 H   -2.253300      -1.249200      -2.925700    
 H   -3.638600     -0.1789000      -2.914200    
 H   -4.312300      -2.724500       1.077000    
 H   -2.866300      -1.860500       1.523200    
 H   -5.596100     -0.6597000      0.8318000    
 H   0.4440000      -2.556100      -2.030400    
 H    3.530100      0.4900000       2.538400    
 H    4.103100      -2.055600     -0.6942000    
 H    3.708500      -2.076200       1.045200    
 H   -5.427600      6.3400000E-02   2.983500    
 H    5.881700      -1.801600       1.500700    


%chk=000005864-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005864

0 1
O -0.211901 -1.678547 -2.083160
O 2.559436 -0.012702 2.070396
O -4.823176 -0.890184 2.776840
O 5.087289 0.140534 -0.501883
O 5.748394 -2.267100 0.454387
C -1.257187 -0.213902 -0.374451
C -0.561749 1.161444 -0.646300
C 0.772281 1.194219 0.129269
C 1.752155 0.040697 -0.258282
C -2.696031 -0.309310 -1.017631
C -3.571128 0.868908 -0.443864
C -0.334870 -1.438676 -0.622733
C 1.061920 -1.306673 0.048028
C 2.963659 0.411512 0.706180
C -1.470165 2.330274 -0.177062
C 1.656513 2.463432 0.085915
C -2.914155 2.245338 -0.719864
C 3.054392 1.966594 0.586727
C -3.401112 -1.656042 -0.660512
C -3.922275 0.687764 1.060149
C 2.226379 0.118202 -1.733469
C -2.677056 -0.202094 -2.569642
C -3.731163 -1.832649 0.838925
C -4.600002 -0.669536 1.332637
C 4.266111 -0.307302 0.350620
C 4.577900 -1.641808 1.032331
H -1.408266 -0.240487 0.728004
H -0.365228 1.271695 -1.731233
H 0.516380 1.018093 1.197542
H -4.533731 0.836149 -1.001720
H -0.821598 -2.332317 -0.174374
H 0.933594 -1.397889 1.142834
H 1.686856 -2.166258 -0.277683
H -1.017334 3.294157 -0.480844
H -1.490399 2.333144 0.933271
H 1.254295 3.270863 0.721627
H 1.728098 2.860506 -0.943760
H -3.529236 3.048915 -0.266321
H -2.907289 2.434505 -1.810418
H 3.863021 2.232362 -0.115169
H 3.321464 2.408640 1.566779
H -2.793932 -2.504723 -1.025415
H -4.349685 -1.695835 -1.236630
H -3.024331 0.755939 1.703213
H -4.597289 1.514610 1.368617
H 2.806028 1.032983 -1.942858
H 2.882090 -0.737562 -1.979660
H 1.361459 0.075209 -2.412451
H -2.105866 0.668638 -2.933678
H -2.217042 -1.097831 -3.013502
H -3.714132 -0.103599 -2.947118
H -4.268033 -2.784928 1.006001
H -2.813686 -1.870877 1.457450
H -5.576884 -0.693729 0.795665
H 0.483370 -2.371077 -2.222113
H 3.006164 0.576585 2.729305
H 3.703024 -2.315892 0.947744
H 4.729603 -1.460840 2.116533
H -5.363831 -0.138951 3.131972
H 6.133887 -1.613292 -0.196758


