output.out

%chk=output.chk
%nproc=8
%mem=1GB
# MP2/6-31G* Opt=(Redundant) SCF=Tight Geom=PrintInputOrient

<qmtool> simtype="Geometry optimization" </qmtool>

0 1
C1 0.6430000066757202 2.009000062942505 0.27399998903274536
C2 0.621999979019165 0.46700000762939453 0.22599999606609344
C3 -0.8130000233650208 0.012000000104308128 0.47699999809265137
C4 -1.184000015258789 0.09399999678134918 1.9600000381469727
C5 -0.2070000022649765 -0.765999972820282 2.7330000400543213
O6 -0.578000009059906 -1.5850000381469727 3.558000087738037
C7 1.215999960899353 -0.5580000281333923 2.428999900817871
C8 1.5959999561309814 -0.0020000000949949026 1.2669999599456787
C9 3.0769999027252197 0.2150000035762787 1.0269999504089355
C10 3.437000036239624 -0.34700000286102295 -0.3490000069141388
C11 2.556999921798706 0.2849999964237213 -1.430999994277954
H12 2.6570000648498535 1.3650000095367432 -1.4049999713897705
C13 2.9760000705718994 -0.257999986410141 -2.7939999103546143
H14 2.815000057220459 -1.3389999866485596 -2.809000015258789
C15 4.4019999504089355 0.0689999982714653 -3.263000011444092
C16 4.323999881744385 -0.12600000202655792 -4.802000045776367
C17 2.8329999446868896 0.03999999910593033 -5.196000099182129
H18 2.443000078201294 -0.9070000052452087 -5.576000213623047
C19 2.6589999198913574 1.125 -6.238999843597412
O20 3.4709999561309814 2.0209999084472656 -6.3470001220703125
C21 1.4520000219345093 1.0779999494552612 -7.144999980926514
O22 1.4950000047683716 2.188999891281128 -8.034000396728516
C23 2.1019999980926514 0.41200000047683716 -3.8949999809265137
C24 2.1089999675750732 1.9290000200271606 -3.763000011444092
O25 3.000999927520752 2.5399999618530273 -3.2130000591278076
C26 0.6880000233650208 -0.13099999725818634 -3.7249999046325684
C27 0.1459999978542328 0.328000009059906 -2.3559999465942383
H28 -0.8519999980926514 -0.09200000017881393 -2.2090001106262207
O29 0.04500000178813934 1.75 -2.377000093460083
C30 1.0609999895095825 -0.06499999761581421 -1.1749999523162842
H31 1.059999942779541 -1.1579999923706055 -1.1150000095367432
H32 1.5470000505447388 2.3959999084472656 -0.19200000166893005
H33 -0.22300000488758087 2.4130001068115234 -0.23999999463558197
H34 0.6190000176429749 2.3329999446868896 1.3179999589920044
H35 -1.4910000562667847 0.6460000276565552 -0.09600000083446503
H36 -0.925000011920929 -1.0210000276565552 0.13899999856948853
H37 -1.1130000352859497 1.128999948501587 2.3010001182556152
H38 -2.1989998817443848 -0.2759999930858612 2.115999937057495
H39 1.9609999656677246 -0.875 3.1470000743865967
H40 3.308000087738037 1.281999945640564 1.0670000314712524
H41 3.6480000019073486 -0.3100000023841858 1.7940000295639038
H42 4.485000133514404 -0.13899999856948853 -0.5730000138282776
H43 3.2760000228881836 -1.4279999732971191 -0.3400000035762787
H44 4.660999774932861 1.0950000286102295 -3.010999917984009
H45 5.125 -0.6259999871253967 -2.8289999961853027
H46 4.935999870300293 0.6159999966621399 -5.313000202178955
H47 4.660999774932861 -1.13100004196167 -5.061999797821045
H48 1.4630000591278076 0.14300000667572021 -7.711999893188477
H49 0.5419999957084656 1.11899995803833 -6.539999961853027
H50 0.7400000095367432 2.2039999961853027 -8.638999938964844
H51 1.2920000553131104 2.486999988555908 -4.214000225067139
H52 0.04399999976158142 0.2460000067949295 -4.52400016784668
H53 0.7099999785423279 -1.222000002861023 -3.750999927520752
H54 -0.5490000247955322 2.068000078201294 -3.075000047683716