Created
February 24, 2022 05:35
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| %nproc=4 | |
| %mem=10gb | |
| #p b2plyp/aug-cc-pvtz iop(3/125=0360003600,3/78=0640006400,3/76=0350006500,3/77=1000010000,5/33=1) | |
| # int(grid=ultrafine) empiricaldispersion=gd2 iop(3/174=400000) | |
| Using the new G16 mechanism to specify nonstandard dispersion parameters // https://www.compchem.me/b2gp-plyp | |
| 0 1 | |
| C 0.0 0.0 0.0 | |
| O 0.0 0.0 1.1314 |
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