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	hartrees
Energy at 0K	-139.819591
Energy at 298.15K
HF Energy	-139.202125
Nuclear repulsion energy	56.595339

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	2525	2417	1.85	273.06	0.00	0.00
2	A₁	2179	2086	298.49	128.69	0.28	0.44
3	A₁	1117	1069	12.06	20.82	0.38	0.55
4	A₁	732	701	40.09	1.99	0.02	0.04
5	E	2615	2503	47.71	102.24	0.75	0.86
5	E	2615	2503	47.71	102.24	0.75	0.86
6	E	1159	1110	0.05	12.10	0.75	0.86
6	E	1159	1110	0.05	12.10	0.75	0.86
7	E	838	802	2.49	1.02	0.75	0.86
7	E	838	802	2.49	1.02	0.75	0.86
8	E	309	296	6.36	0.39	0.75	0.86
8	E	309	296	6.36	0.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.347
C2	0.000	0.000	0.185
O3	0.000	0.000	1.316
H4	0.000	1.163	-1.635
H5	1.007	-0.581	-1.635
H6	-1.007	-0.581	-1.635

	B1	C2	O3	H4	H5	H6
B1		1.5311	2.6627	1.1978	1.1978	1.1978
C2	1.5311		1.1316	2.1593	2.1593	2.1593
O3	2.6627	1.1316		3.1719	3.1719	3.1719
H4	1.1978	2.1593	3.1719		2.0135	2.0135
H5	1.1978	2.1593	3.1719	2.0135		2.0135
H6	1.1978	2.1593	3.1719	2.0135	2.0135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.936
C2	B1	H5	103.936	C2	B1	H6	103.936
H4	B1	H5	114.393	H4	B1	H6	114.393
H5	B1	H6	114.393

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

using model chemistry: MP2=FULL/cc-pVQZ

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=FULL/cc-pVQZ

States and conformations

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