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	hartrees
Energy at 0K	-139.619041
Energy at 298.15K
HF Energy	-139.185668
Nuclear repulsion energy	56.193807

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	2528	2396	4.67	254.37	0.00	0.00
2	A₁	2177	2063	270.54	145.14	0.30	0.46
3	A₁	1131	1072	16.90	24.26	0.49	0.65
4	A₁	700	663	36.69	0.49	0.06	0.12
5	E	2616	2479	59.88	107.42	0.75	0.86
5	E	2616	2479	59.88	107.42	0.75	0.86
6	E	1169	1108	0.03	18.14	0.75	0.86
6	E	1169	1108	0.03	18.14	0.75	0.86
7	E	850	806	0.88	0.66	0.75	0.86
7	E	850	806	0.88	0.66	0.75	0.86
8	E	304	288	9.05	0.20	0.75	0.86
8	E	304	288	9.05	0.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.359
C2	0.000	0.000	0.190
O3	0.000	0.000	1.327
H4	0.000	1.167	-1.652
H5	1.010	-0.583	-1.652
H6	-1.010	-0.583	-1.652

	B1	C2	O3	H4	H5	H6
B1		1.5487	2.6858	1.2028	1.2028	1.2028
C2	1.5487		1.1371	2.1799	2.1799	2.1799
O3	2.6858	1.1371		3.1988	3.1988	3.1988
H4	1.2028	2.1799	3.1988		2.0207	2.0207
H5	1.2028	2.1799	3.1988	2.0207		2.0207
H6	1.2028	2.1799	3.1988	2.0207	2.0207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.082
C2	B1	H5	104.082	C2	B1	H6	104.082
H4	B1	H5	114.280	H4	B1	H6	114.280
H5	B1	H6	114.280

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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