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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	²A^'
1	2	no	C*V	²Σ

	hartrees
Energy at 0K	-90.444136
Energy at 298.15K	-90.443879
HF Energy	-90.136241
Nuclear repulsion energy	17.482463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	4027	3877
2	A'	1280	1232
3	A'	288	277

Atom	x (Å)	y (Å)
O1	0.049	-0.378
Be2	0.049	1.026
H3	-0.592	-1.079

	O1	Be2	H3
O1		1.4034	0.9505
Be2	1.4034		2.2003
H3	0.9505	2.2003

All results from a given calculation for BeOH (beryllium monohydroxide)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C*V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-90.443820
Energy at 298.15K
HF Energy	-90.135384
Nuclear repulsion energy	17.694358

	O1	Be2	H3
O1		1.3773	0.9431
Be2	1.3773		2.3204
H3	0.9431	2.3204