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	hartrees
Energy at 0K	-139.160402
Energy at 298.15K
HF Energy	-139.160402
Nuclear repulsion energy	56.077071

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	2543	2315	18.64	274.19	0.00	0.01
2	A₁	2443	2225	374.06	70.00	0.22	0.36
3	A₁	1205	1097	68.22	9.34	0.22	0.36
4	A₁	555	506	5.36	0.21	0.26	0.41
5	E	2611	2377	132.46	80.54	0.75	0.86
5	E	2611	2377	132.46	80.54	0.75	0.86
6	E	1228	1118	2.30	7.60	0.75	0.86
6	E	1228	1118	2.30	7.60	0.75	0.86
7	E	928	845	0.15	0.36	0.75	0.86
7	E	928	845	0.15	0.36	0.75	0.86
8	E	326	297	18.62	0.09	0.75	0.86
8	E	326	297	18.62	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.396
C2	0.000	0.000	0.224
O3	0.000	0.000	1.330
H4	0.000	1.180	-1.668
H5	1.022	-0.590	-1.668
H6	-1.022	-0.590	-1.668

	B1	C2	O3	H4	H5	H6
B1		1.6204	2.7262	1.2110	1.2110	1.2110
C2	1.6204		1.1058	2.2299	2.2299	2.2299
O3	2.7262	1.1058		3.2218	3.2218	3.2218
H4	1.2110	2.2299	3.2218		2.0440	2.0440
H5	1.2110	2.2299	3.2218	2.0440		2.0440
H6	1.2110	2.2299	3.2218	2.0440	2.0440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	102.964
C2	B1	H5	102.964	C2	B1	H6	102.964
H4	B1	H5	115.120	H4	B1	H6	115.120
H5	B1	H6	115.120

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

using model chemistry: HF/aug-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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Number	Element	Mulliken
1	B	-0.447
2	C	0.257
3	O	-0.271
4	H	0.154
5	H	0.154
6	H	0.154

	x	y	z	Total
	0.000	0.000	1.967	1.967
CHELPG
AIM
ESP

<r²>	49.770
(<r²>)^1/2	7.055

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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