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	hartrees
Energy at 0K	-139.993275
Energy at 298.15K	-139.995811
HF Energy	-139.993275
Nuclear repulsion energy	54.306017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	2965	0.08
2	A₁	2050	1970	190.54
3	A₁	1311	1261	12.98
4	A₁	834	801	0.05
5	E	3181	3058	0.02
5	E	3181	3058	0.02
6	E	1428	1373	6.04
6	E	1428	1373	6.04
7	E	901	866	25.43
7	E	901	866	25.43
8	E	365	351	7.77
8	E	365	351	7.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.291
B2	0.000	0.000	0.239
O3	0.000	0.000	1.445
H4	0.000	1.029	-1.672
H5	0.891	-0.515	-1.672
H6	-0.891	-0.515	-1.672

	C1	B2	O3	H4	H5	H6
C1		1.5303	2.7363	1.0973	1.0973	1.0973
B2	1.5303		1.2060	2.1704	2.1704	2.1704
O3	2.7363	1.2060		3.2824	3.2824	3.2824
H4	1.0973	2.1704	3.2824		1.7826	1.7826
H5	1.0973	2.1704	3.2824	1.7826		1.7826
H6	1.0973	2.1704	3.2824	1.7826	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.294
B2	C1	H5	110.294	B2	C1	H6	110.294
H4	C1	H5	108.636	H4	C1	H6	108.636
H5	C1	H6	108.636

All results from a given calculation for CH₃BO (Borane, methyloxo-)

using model chemistry: B1B95/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	C	-0.174
2	B	-0.009
3	O	-0.064
4	H	0.082
5	H	0.082
6	H	0.082

	x	y	z	Total
	0.000	0.000	-3.425	3.425
CHELPG
AIM
ESP

<r²>	49.785
(<r²>)^1/2	7.056

All results from a given calculation for CH3BO (Borane, methyloxo-)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CH₃BO (Borane, methyloxo-)