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	hartrees
Energy at 0K	-139.754642
Energy at 298.15K
HF Energy	-139.190491
Nuclear repulsion energy	56.509926

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	2520	2375	1.91	280.01	0.00	0.00
2	A₁	2177	2052	304.77	135.75	0.28	0.43
3	A₁	1115	1051	12.48	22.35	0.32	0.49
4	A₁	727	686	39.84	2.18	0.01	0.02
5	E	2606	2457	48.80	106.11	0.75	0.86
5	E	2606	2457	48.80	106.11	0.75	0.86
6	E	1153	1087	0.01	9.71	0.75	0.86
6	E	1153	1087	0.01	9.71	0.75	0.86
7	E	836	788	2.49	1.45	0.75	0.86
7	E	836	788	2.49	1.45	0.75	0.86
8	E	309	292	6.29	0.61	0.75	0.86
8	E	309	292	6.29	0.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.348
C2	0.000	0.000	0.185
O3	0.000	0.000	1.318
H4	0.000	1.164	-1.639
H5	1.008	-0.582	-1.639
H6	-1.008	-0.582	-1.639

	B1	C2	O3	H4	H5	H6
B1		1.5337	2.6666	1.1999	1.1999	1.1999
C2	1.5337		1.1329	2.1641	2.1641	2.1641
O3	2.6666	1.1329		3.1780	3.1780	3.1780
H4	1.1999	2.1641	3.1780		2.0165	2.0165
H5	1.1999	2.1641	3.1780	2.0165		2.0165
H6	1.1999	2.1641	3.1780	2.0165	2.0165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.012
C2	B1	H5	104.012	C2	B1	H6	104.012
H4	B1	H5	114.334	H4	B1	H6	114.334
H5	B1	H6	114.334

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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