%chk=000012943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012943

0 1
 O    5.401800      0.3768000     -0.1538000    
 O    2.311700       3.873700      0.2465000    
 O    3.119000      -4.257300     -0.5750000    
 O   -5.170100     -0.3883000      -1.273100    
 O   -4.833500       1.632000      -2.253600    
 C    1.909900       1.509800     -0.1276000    
 C    2.969200      0.4029000      1.0400000E-02
 C    4.225700       1.015900     -0.6262000    
 C    4.224500       2.471400     -0.1667000    
 C   0.8154000       1.432300      0.9232000    
 C    2.757700       2.756200      1.7200001E-02
 C  -0.3978000       2.279100      0.5342000    
 C    2.553400     -0.8760000     -0.6472000    
 C   -1.480300       2.226600       1.614100    
 C    2.452400      -2.047900     -3.3000000E-03
 C   -2.723800       3.052700       1.271800    
 C    2.035900      -3.330000     -0.6681000    
 C   0.8157000      -3.979400     -1.1000000E-03
 C   -3.448800       2.662200     -1.9200001E-02
 C  -0.4037000      -3.054800      5.8200002E-02
 C   -4.003800       1.238400      1.7000000E-03
 C   -1.598300      -3.671400      0.7935000    
 C   -2.840400      -2.779400      0.7935000    
 C   -4.700400      0.8866000      -1.293200    
 C   -3.991500      -3.432200       1.543900    
 H    1.491700       1.512100      -1.142700    
 H    3.175400      0.2173000       1.075200    
 H    4.198900      0.9511000      -1.721000    
 H    4.747600       2.607500      0.7845000    
 H    4.654400       3.127700     -0.9275000    
 H   0.4860000      0.3933000       1.044400    
 H    1.196700       1.762300       1.897900    
 H  -0.7946000       1.898500     -0.4135000    
 H  -0.1123000       3.322600      0.3684000    
 H    2.321100     -0.8350000      -1.709000    
 H   -1.064900       2.607100       2.555700    
 H   -1.766300       1.185700       1.804300    
 H    6.162400      0.8470000     -0.5360000    
 H    2.688300      -2.096800       1.057300    
 H   -3.428100       2.985100       2.110300    
 H   -2.434400       4.108600       1.198000    
 H    1.823700      -3.176000      -1.732700    
 H   0.5600000      -4.901200     -0.5395000    
 H    1.082200      -4.300400       1.015100    
 H   -4.280300       3.363300     -0.1692000    
 H   -2.788600       2.799900     -0.8831000    
 H  -0.7032000      -2.793000     -0.9641000    
 H  -0.1474000      -2.117000      0.5638000    
 H   -1.306700      -3.889000       1.828500    
 H   -1.846900      -4.632600      0.3266000    
 H   -4.722600       1.129600      0.8209000    
 H   -3.191200      0.5178000      0.1378000    
 H    3.880100      -3.869000      -1.039900    
 H   -3.149900      -2.573300     -0.2375000    
 H   -2.604500      -1.816400       1.260900    
 H   -4.270900      -4.384600       1.082400    
 H   -3.722400      -3.621200       2.588000    
 H   -4.869200      -2.778300       1.532300    
 H   -5.620600     -0.6253000      -2.111700    


%chk=000012943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012943

0 1
O 5.586902 0.336253 -0.226393
O 2.424956 4.020455 0.199657
O 3.164817 -4.369539 -0.342649
O -5.864431 -0.379983 -0.552010
O -4.921648 1.058258 -2.110133
C 2.073433 1.570459 -0.105789
C 3.156794 0.448610 0.010443
C 4.401695 1.070861 -0.680284
C 4.374559 2.556735 -0.255819
C 0.907368 1.469968 0.905203
C 2.887877 2.878120 -0.030620
C -0.339900 2.292568 0.509495
C 2.719125 -0.868072 -0.576149
C -1.461213 2.205457 1.570364
C 2.573436 -2.029424 0.112470
C -2.720482 3.041062 1.226433
C 2.115625 -3.329811 -0.508037
C 0.855276 -3.919207 0.151923
C -3.539267 2.541870 0.009464
C -0.396827 -3.032759 -0.019044
C -4.221372 1.182674 0.268217
C -1.668881 -3.655424 0.598561
C -2.900136 -2.726582 0.499835
C -4.998809 0.666755 -0.925186
C -4.189913 -3.346921 1.077880
H 1.645249 1.532070 -1.134968
H 3.419263 0.312269 1.079676
H 4.295239 0.988727 -1.784945
H 4.897411 2.665896 0.716434
H 4.834782 3.266371 -0.965294
H 0.627772 0.400350 1.000191
H 1.263761 1.796942 1.903243
H -0.713014 1.928112 -0.469784
H -0.046808 3.349974 0.368241
H 2.480323 -0.855204 -1.654038
H -1.056566 2.563685 2.538948
H -1.736827 1.141789 1.732907
H 6.386772 0.682691 -0.696427
H 2.815435 -2.073295 1.185375
H -3.385582 3.077116 2.114065
H -2.403722 4.085723 1.033232
H 1.920534 -3.166406 -1.592187
H 0.679286 -4.917442 -0.294508
H 1.065857 -4.082559 1.227242
H -4.317231 3.290033 -0.235690
H -2.899516 2.466563 -0.888768
H -0.574543 -2.841120 -1.098463
H -0.213737 -2.041457 0.445062
H -1.479919 -3.901092 1.664439
H -1.892774 -4.617898 0.093285
H -4.906483 1.235267 1.135189
H -3.473339 0.405493 0.523537
H 4.033562 -3.977020 -0.616467
H -3.066339 -2.452856 -0.562757
H -2.676324 -1.778941 1.034415
H -4.451901 -4.280901 0.545241
H -4.065217 -3.597864 2.148340
H -5.041415 -2.648620 0.984811
H -6.339577 -0.711477 -1.362408


