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	hartrees
Energy at 0K	-139.592166
Energy at 298.15K
HF Energy	-139.156625
Nuclear repulsion energy	55.742892

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	2501	2501	2.93	311.74	0.00	0.00
2	A₁	2130	2130	275.54	144.67	0.27	0.42
3	A₁	1103	1103	19.59	24.51	0.29	0.45
4	A₁	698	698	33.20	1.60	0.00	0.00
5	E	2585	2585	59.88	107.34	0.75	0.86
5	E	2585	2585	59.88	107.34	0.75	0.86
6	E	1143	1143	0.22	10.64	0.75	0.86
6	E	1143	1143	0.22	10.64	0.75	0.86
7	E	834	834	0.99	1.14	0.75	0.86
7	E	834	834	0.99	1.14	0.75	0.86
8	E	303	303	6.71	0.50	0.75	0.86
8	E	303	303	6.71	0.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.371
C2	0.000	0.000	0.190
O3	0.000	0.000	1.337
H4	0.000	1.179	-1.660
H5	1.021	-0.590	-1.660
H6	-1.021	-0.590	-1.660

	B1	C2	O3	H4	H5	H6
B1		1.5605	2.7074	1.2139	1.2139	1.2139
C2	1.5605		1.1469	2.1932	2.1932	2.1932
O3	2.7074	1.1469		3.2198	3.2198	3.2198
H4	1.2139	2.1932	3.2198		2.0422	2.0422
H5	1.2139	2.1932	3.2198	2.0422		2.0422
H6	1.2139	2.1932	3.2198	2.0422	2.0422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.765
C2	B1	H5	103.765	C2	B1	H6	103.765
H4	B1	H5	114.524	H4	B1	H6	114.524
H5	B1	H6	114.524

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

using model chemistry: MP2=FULL/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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