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	hartrees
Energy at 0K	-25.991271
Energy at 298.15K
HF Energy	-25.601267
Nuclear repulsion energy	29.128603

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	2513	2394	5.66	297.29	0.00	0.00
2	A₁	2106	2007	269.46	155.51	0.29	0.45
3	A₁	1131	1078	17.66	27.32	0.49	0.65
4	A₁	670	639	30.47	0.50	0.57	0.73
5	E	2611	2488	78.35	118.96	0.75	0.86
5	E	2611	2488	78.35	118.96	0.75	0.86
6	E	1150	1096	0.00	22.96	0.75	0.86
6	E	1150	1096	0.00	22.96	0.75	0.86
7	E	863	822	0.27	0.41	0.75	0.86
7	E	863	822	0.27	0.41	0.75	0.86
8	E	294	280	9.21	0.28	0.75	0.86
8	E	294	280	9.21	0.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.378
C2	0.000	0.000	0.190
O3	0.000	0.000	1.344
H4	0.000	1.172	-1.667
H5	1.015	-0.586	-1.667
H6	-1.015	-0.586	-1.667

	B1	C2	O3	H4	H5	H6
B1		1.5677	2.7213	1.2072	1.2072	1.2072
C2	1.5677		1.1536	2.1956	2.1956	2.1956
O3	2.7213	1.1536		3.2303	3.2303	3.2303
H4	1.2072	2.1956	3.2303		2.0301	2.0301
H5	1.2072	2.1956	3.2303	2.0301		2.0301
H6	1.2072	2.1956	3.2303	2.0301	2.0301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.845
C2	B1	H5	103.845	C2	B1	H6	103.845
H4	B1	H5	114.463	H4	B1	H6	114.463
H5	B1	H6	114.463

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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