start cluster8e memory 1200 Mb noverify #scratch_dir /scratch #permanent_dir /scratch print high geometry O 1.215 0.624 2.639 H 1.229 1.615 2.508 H 0.364 0.360 3.094 O 2.382 -1.764 1.436 H 2.086 -1.833 0.483 H 1.953 -0.967 1.861 O -2.809 -1.320 -1.524 H -2.687 -1.139 -2.500 H -2.625 -0.486 -1.004 O 0.846 1.015 -1.428 H 1.740 0.624 -1.208 H 0.391 0.444 -2.112 O -1.399 0.623 3.523 H -2.161 0.094 3.147 H -1.634 1.595 3.518 O 1.469 -2.254 -1.184 H 0.605 -2.509 -0.749 H 1.556 -2.733 -2.058 O -1.137 3.033 0.493 H -1.894 2.475 0.151 H -0.268 2.601 0.249 end basis spherical O library aug-cc-pvdz H library aug-cc-pvdz end mp2 freeze core atomic end set int:acc_std double 1d-11 task mp2 gradient