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	hartrees
Energy at 0K	-140.017602
Energy at 298.15K
HF Energy	-140.017602
Nuclear repulsion energy	56.421033

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	2464	2464	1.59	218.40	0.00	0.00
2	A₁	2196	2196	467.33	58.31	0.34	0.51
3	A₁	1087	1087	2.66	17.91	0.59	0.74
4	A₁	749	749	26.26	7.25	0.14	0.24
5	E	2531	2531	45.45	113.15	0.75	0.86
5	E	2531	2531	45.45	113.15	0.75	0.86
6	E	1122	1122	0.04	19.55	0.75	0.86
6	E	1122	1122	0.04	19.55	0.75	0.86
7	E	822	822	2.68	0.11	0.75	0.86
7	E	822	822	2.68	0.11	0.75	0.86
8	E	301	301	6.19	0.30	0.75	0.86
8	E	301	301	6.19	0.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.345
C2	0.000	0.000	0.185
O3	0.000	0.000	1.320
H4	0.000	1.169	-1.648
H5	1.013	-0.585	-1.648
H6	-1.013	-0.585	-1.648

	B1	C2	O3	H4	H5	H6
B1		1.5295	2.6644	1.2080	1.2080	1.2080
C2	1.5295		1.1349	2.1745	2.1745	2.1745
O3	2.6644	1.1349		3.1902	3.1902	3.1902
H4	1.2080	2.1745	3.1902		2.0251	2.0251
H5	1.2080	2.1745	3.1902	2.0251		2.0251
H6	1.2080	2.1745	3.1902	2.0251	2.0251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.567
C2	B1	H5	104.567	C2	B1	H6	104.567
H4	B1	H5	113.898	H4	B1	H6	113.898
H5	B1	H6	113.898

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

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	B	-0.185
2	C	0.287
3	O	-0.131
4	H	0.010
5	H	0.010
6	H	0.010

	x	y	z	Total
	0.000	0.000	1.480	1.480
CHELPG
AIM
ESP

<r²>	47.914
(<r²>)^1/2	6.922

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

using model chemistry: TPSSh/6-311G**

States and conformations

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