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	hartrees
Energy at 0K	-139.559928
Energy at 298.15K
HF Energy	-139.140191
Nuclear repulsion energy	55.981354

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	2574	2405	4.17	171.85	0.00	0.00
2	A₁	2176	2033	243.53	125.95	0.28	0.44
3	A₁	1152	1077	15.49	28.73	0.56	0.72
4	A₁	708	662	35.11	0.09	0.05	0.09
5	E	2669	2494	50.83	92.83	0.75	0.86
5	E	2669	2494	50.83	92.83	0.75	0.86
6	E	1185	1107	0.01	24.45	0.75	0.86
6	E	1185	1107	0.01	24.45	0.75	0.86
7	E	859	803	0.86	0.14	0.75	0.86
7	E	859	803	0.86	0.14	0.75	0.86
8	E	304	284	11.36	0.36	0.75	0.86
8	E	304	284	11.36	0.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.364
C2	0.000	0.000	0.185
O3	0.000	0.000	1.333
H4	0.000	1.164	-1.652
H5	1.008	-0.582	-1.652
H6	-1.008	-0.582	-1.652

	B1	C2	O3	H4	H5	H6
B1		1.5497	2.6972	1.1985	1.1985	1.1985
C2	1.5497		1.1475	2.1747	2.1747	2.1747
O3	2.6972	1.1475		3.2036	3.2036	3.2036
H4	1.1985	2.1747	3.2036		2.0153	2.0153
H5	1.1985	2.1747	3.2036	2.0153		2.0153
H6	1.1985	2.1747	3.2036	2.0153	2.0153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.884
C2	B1	H5	103.884	C2	B1	H6	103.884
H4	B1	H5	114.433	H4	B1	H6	114.433
H5	B1	H6	114.433

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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