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	hartrees
Energy at 0K	-139.578425
Energy at 298.15K	-139.580673
HF Energy	-139.153442
Nuclear repulsion energy	55.736789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2499	2391	10.29
2	A₁	2294	2195	302.84
3	A₁	1121	1073	34.72
4	A₁	649	621	18.10
5	E	2587	2475	72.89
5	E	2587	2475	72.89
6	E	1153	1103	0.26
6	E	1153	1103	0.26
7	E	854	817	0.23
7	E	854	817	0.23
8	E	306	293	12.60
8	E	306	293	12.60

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.384
C2	0.000	0.000	0.206
O3	0.000	0.000	1.336
H4	0.000	1.187	-1.668
H5	1.028	-0.593	-1.668
H6	-1.028	-0.593	-1.668

	B1	C2	O3	H4	H5	H6
B1		1.5903	2.7208	1.2200	1.2200	1.2200
C2	1.5903		1.1305	2.2179	2.2179	2.2179
O3	2.7208	1.1305		3.2301	3.2301	3.2301
H4	1.2200	2.2179	3.2301		2.0552	2.0552
H5	1.2200	2.2179	3.2301	2.0552		2.0552
H6	1.2200	2.2179	3.2301	2.0552	2.0552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.433
C2	B1	H5	103.433	C2	B1	H6	103.433
H4	B1	H5	114.775	H4	B1	H6	114.775
H5	B1	H6	114.775

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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