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	hartrees
Energy at 0K	-138.653152
Energy at 298.15K
HF Energy	-138.351099
Nuclear repulsion energy	55.115062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2473	2377	4.66
2	A₁	2106	2025	205.52
3	A₁	1135	1090	8.80
4	A₁	637	612	17.65
5	E	2552	2452	41.86
5	E	2552	2452	41.86
6	E	1153	1108	0.37
6	E	1153	1108	0.37
7	E	886	851	0.05
7	E	886	851	0.05
8	E	334	321	17.67
8	E	334	321	17.67

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.390
C2	0.000	0.000	0.200
O3	0.000	0.000	1.355
H4	0.000	1.178	-1.697
H5	1.021	-0.589	-1.697
H6	-1.021	-0.589	-1.697

	B1	C2	O3	H4	H5	H6
B1		1.5899	2.7456	1.2177	1.2177	1.2177
C2	1.5899		1.1557	2.2331	2.2331	2.2331
O3	2.7456	1.1557		3.2722	3.2722	3.2722
H4	1.2177	2.2331	3.2722		2.0411	2.0411
H5	1.2177	2.2331	3.2722	2.0411		2.0411
H6	1.2177	2.2331	3.2722	2.0411	2.0411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.603
C2	B1	H5	104.603	C2	B1	H6	104.603
H4	B1	H5	113.870	H4	B1	H6	113.870
H5	B1	H6	113.870

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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