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	hartrees
Energy at 0K	-139.955994
Energy at 298.15K
HF Energy	-139.955994
Nuclear repulsion energy	56.748858

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	2518	2518	1.15	262.63	0.00	0.00
2	A₁	2291	2291	482.44	79.27	0.28	0.43
3	A₁	1102	1102	9.30	14.83	0.32	0.49
4	A₁	720	720	29.97	3.93	0.05	0.09
5	E	2591	2591	42.27	96.44	0.75	0.86
5	E	2591	2591	42.21	96.63	0.75	0.86
6	E	1140	1140	0.00	7.92	0.75	0.86
6	E	1140	1140	0.00	7.93	0.75	0.86
7	E	835	835	3.71	0.74	0.75	0.86
7	E	835	835	3.70	0.76	0.75	0.86
8	E	305	305	6.75	0.40	0.75	0.86
8	E	305	305	6.83	0.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.347
C2	0.000	0.000	0.191
O3	0.000	0.000	1.312
H4	0.000	1.165	-1.634
H5	1.009	-0.583	-1.634
H6	-1.009	-0.583	-1.634

	B1	C2	O3	H4	H5	H6
B1		1.5382	2.6591	1.2002	1.2002	1.2002
C2	1.5382		1.1209	2.1654	2.1654	2.1654
O3	2.6591	1.1209		3.1681	3.1681	3.1681
H4	1.2002	2.1654	3.1681		2.0186	2.0186
H5	1.2002	2.1654	3.1681	2.0186		2.0186
H6	1.2002	2.1654	3.1681	2.0186	2.0186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.825
C2	B1	H5	103.825	C2	B1	H6	103.825
H4	B1	H5	114.478	H4	B1	H6	114.478
H5	B1	H6	114.478

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

using model chemistry: M06-2X/6-311+G(3df,2p)

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	-0.195
2	C	0.521
3	O	-0.611
4	H	0.095
5	H	0.095
6	H	0.095

	x	y	z	Total
	0.000	0.000	1.491	1.491
CHELPG
AIM
ESP

	x	y	z
x	4.014	0.000	0.000
y	0.000	4.013	0.001
z	0.000	0.001	6.442

<r²>	47.724
(<r²>)^1/2	6.908

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

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

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