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freebsd-ports/biology/mopac/files/h2o.dat
1999-05-06 08:23:21 +00:00

7 lines
276 B
Plaintext

pm3 vector gnorm=0
h2o.dat
h2o.dat
O 0.0000000 0 0.000000 0 0.000000 0 0 0 0 0.0000
H 0.9730005 1 0.000000 0 0.000000 0 1 0 0 0.0000
H 0.9730879 1 104.580675 1 0.000000 0 1 2 0 0.0000