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	hartrees
Energy at 0K	-139.641598
Energy at 298.15K
HF Energy	-139.171058
Nuclear repulsion energy	56.151569

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	2497	2365	3.55	218.10	0.00	0.00
2	A₁	2178	2063	269.56	130.74	0.31	0.48
3	A₁	1113	1054	7.66	25.91	0.52	0.68
4	A₁	713	675	35.99	0.53	0.01	0.02
5	E	2585	2448	49.89	113.64	0.75	0.86
5	E	2585	2448	49.89	113.64	0.75	0.86
6	E	1145	1084	0.08	21.92	0.75	0.86
6	E	1145	1084	0.08	21.92	0.75	0.86
7	E	850	805	1.46	0.39	0.75	0.86
7	E	850	805	1.46	0.39	0.75	0.86
8	E	316	300	8.54	0.29	0.75	0.86
8	E	316	300	8.54	0.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.358
C2	0.000	0.000	0.190
O3	0.000	0.000	1.327
H4	0.000	1.169	-1.657
H5	1.013	-0.585	-1.657
H6	-1.013	-0.585	-1.657

	B1	C2	O3	H4	H5	H6
B1		1.5476	2.6849	1.2073	1.2073	1.2073
C2	1.5476		1.1374	2.1864	2.1864	2.1864
O3	2.6849	1.1374		3.2057	3.2057	3.2057
H4	1.2073	2.1864	3.2057		2.0256	2.0256
H5	1.2073	2.1864	3.2057	2.0256		2.0256
H6	1.2073	2.1864	3.2057	2.0256	2.0256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.378
C2	B1	H5	104.378	C2	B1	H6	104.378
H4	B1	H5	114.049	H4	B1	H6	114.049
H5	B1	H6	114.049

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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