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	hartrees
Energy at 0K	-139.701920
Energy at 298.15K
HF Energy	-139.192880
Nuclear repulsion energy	56.270152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2511	2511	2.09	303.14	0.00	0.00
2	A₁	2152	2152	289.85	138.57	0.27	0.42
3	A₁	1113	1113	15.76	22.24	0.30	0.46
4	A₁	715	715	37.41	2.04	0.01	0.01
5	E	2598	2598	52.92	103.40	0.75	0.86
5	E	2598	2598	52.92	103.40	0.75	0.86
6	E	1153	1153	0.12	9.68	0.75	0.86
6	E	1153	1153	0.12	9.68	0.75	0.86
7	E	833	833	1.74	1.23	0.75	0.86
7	E	833	833	1.74	1.23	0.75	0.86
8	E	304	304	6.40	0.58	0.75	0.86
8	E	304	304	6.40	0.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.356
C2	0.000	0.000	0.187
O3	0.000	0.000	1.324
H4	0.000	1.167	-1.644
H5	1.011	-0.584	-1.644
H6	-1.011	-0.584	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.5427	2.6803	1.2024	1.2024	1.2024
C2	1.5427		1.1377	2.1712	2.1712	2.1712
O3	2.6803	1.1377		3.1897	3.1897	3.1897
H4	1.2024	2.1712	3.1897		2.0219	2.0219
H5	1.2024	2.1712	3.1897	2.0219		2.0219
H6	1.2024	2.1712	3.1897	2.0219	2.0219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.862
C2	B1	H5	103.862	C2	B1	H6	103.862
H4	B1	H5	114.450	H4	B1	H6	114.450
H5	B1	H6	114.450

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

using model chemistry: MP2/daug-cc-pVTZ

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: MP2/daug-cc-pVTZ

States and conformations

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