|
PM7 Water dimer Structure 7 (Triply Hydrogen Bonded Cs) HR=TLHVSQ02 H=1.81+"WATER DIMER STRUCTURE 1 (NON-PLANAR OPEN CS)" HWT=25 O 1.41615356 +0 -0.03438960 +0 0.00000000 +0 O -1.52536099 +0 0.01945420 +0 0.00000000 +0 H 2.36132075 +0 -0.19735080 +0 0.00000000 +0 H 1.33540172 +0 0.92196870 +0 0.00000000 +0 H -0.98176089 +0 -0.24379120 +0 0.74592800 +0 H -0.98176089 +0 -0.24379120 +0 -0.74592800 +0