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- %chk=1_2mol
- %Mem=4GB
- %cpu=0-19
- #t cam-b3lyp/daug-cc-pvtz Polar=doublenumer nosymm scf=tight int=grid=superfine
- frame
- 0 1
- O 0.0E+00 0.0E+00 0.0E+00
- H -0.48248005 0.66827345 0.52965498
- H 0.98272347 0.11864853 0.12969637
- O 3.22427297 2.74126625 0.199723
- H 2.9877007 2.60610724 1.17837953
- H 3.95200038 3.38544798 0.23941374
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