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	hartrees
Energy at 0K	-139.752057
Energy at 298.15K
HF Energy	-139.204469
Nuclear repulsion energy	56.430598

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.360
C2	0.000	0.000	0.196
O3	0.000	0.000	1.320
H4	0.000	1.169	-1.645
H5	1.013	-0.585	-1.645
H6	-1.013	-0.585	-1.645

	B1	C2	O3	H4	H5	H6
B1		1.5564	2.6802	1.2036	1.2036	1.2036
C2	1.5564		1.1238	2.1813	2.1813	2.1813
O3	2.6802	1.1238		3.1874	3.1874	3.1874
H4	1.2036	2.1813	3.1874		2.0254	2.0254
H5	1.2036	2.1813	3.1874	2.0254		2.0254
H6	1.2036	2.1813	3.1874	2.0254	2.0254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.696
C2	B1	H5	103.696	C2	B1	H6	103.696
H4	B1	H5	114.576	H4	B1	H6	114.576
H5	B1	H6	114.576

All results from a given calculation for BH₃CO (Borane carbonyl)

using model chemistry: QCISD/cc-pCVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for BH3CO (Borane carbonyl)

using model chemistry: QCISD/cc-pCVQZ

States and conformations

All results from a given calculation for BH₃CO (Borane carbonyl)