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	hartrees
Energy at 0K	-139.947653
Energy at 298.15K
HF Energy	-139.201572
Nuclear repulsion energy	56.282008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2484	2484
2	A₁	2072	2072
3	A₁	1101	1101
4	A₁	711	711
5	E	2566	2566
5	E	2565	2565
6	E	1137	1137
6	E	1137	1137
7	E	827	827
7	E	826	826
8	E	302	302
8	E	298	298

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.354
C2	0.000	0.000	0.185
O3	0.000	0.000	1.324
H4	0.000	1.167	-1.645
H5	1.010	-0.583	-1.645
H6	-1.010	-0.583	-1.645

	B1	C2	O3	H4	H5	H6
B1		1.5393	2.6778	1.2026	1.2026	1.2026
C2	1.5393		1.1385	2.1709	2.1709	2.1709
O3	2.6778	1.1385		3.1902	3.1902	3.1902
H4	1.2026	2.1709	3.1902		2.0208	2.0208
H5	1.2026	2.1709	3.1902	2.0208		2.0208
H6	1.2026	2.1709	3.1902	2.0208	2.0208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.024
C2	B1	H5	104.024	C2	B1	H6	104.024
H4	B1	H5	114.325	H4	B1	H6	114.325
H5	B1	H6	114.325

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

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pCVQZ

States and conformations

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