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	hartrees
Energy at 0K	-138.639830
Energy at 298.15K
HF Energy	-138.349792
Nuclear repulsion energy	55.100212

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	2526	2411	3.61	170.53	0.00	0.00
2	A₁	2057	1963	139.72	122.10	0.28	0.43
3	A₁	1157	1104	8.11	39.92	0.60	0.75
4	A₁	659	629	25.02	0.83	0.57	0.73
5	E	2606	2488	43.58	91.04	0.75	0.86
5	E	2606	2488	43.58	91.04	0.75	0.86
6	E	1179	1125	0.46	28.38	0.75	0.86
6	E	1179	1125	0.46	28.38	0.75	0.86
7	E	897	856	0.00	0.12	0.75	0.86
7	E	897	856	0.00	0.12	0.75	0.86
8	E	334	319	13.39	0.42	0.75	0.86
8	E	334	319	13.39	0.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
C2	0.000	0.000	0.193
O3	0.000	0.000	1.357
H4	0.000	1.172	-1.696
H5	1.015	-0.586	-1.696
H6	-1.015	-0.586	-1.696

	B1	C2	O3	H4	H5	H6
B1		1.5781	2.7419	1.2128	1.2128	1.2128
C2	1.5781		1.1638	2.2230	2.2230	2.2230
O3	2.7419	1.1638		3.2699	3.2699	3.2699
H4	1.2128	2.2230	3.2699		2.0305	2.0305
H5	1.2128	2.2230	3.2699	2.0305		2.0305
H6	1.2128	2.2230	3.2699	2.0305	2.0305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.842
C2	B1	H5	104.842	C2	B1	H6	104.842
H4	B1	H5	113.677	H4	B1	H6	113.677
H5	B1	H6	113.677

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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