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	hartrees
Energy at 0K	-139.920975
Energy at 298.15K	-139.923522
HF Energy	-139.288209
Nuclear repulsion energy	54.531024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	3090	0.06
2	A₁	2067	2067	192.59
3	A₁	1361	1361	11.97
4	A₁	832	832	0.05
5	E	3175	3175	0.68
5	E	3175	3175	0.68
6	E	1486	1486	5.14
6	E	1486	1486	5.14
7	E	930	930	24.25
7	E	930	930	24.24
8	E	361	361	14.38
8	E	361	361	14.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.290
B2	0.000	0.000	0.242
O3	0.000	0.000	1.442
H4	0.000	1.018	-1.668
H5	0.881	-0.509	-1.668
H6	-0.881	-0.509	-1.668

	C1	B2	O3	H4	H5	H6
C1		1.5316	2.7316	1.0853	1.0853	1.0853
B2	1.5316		1.2000	2.1635	2.1635	2.1635
O3	2.7316	1.2000		3.2715	3.2715	3.2715
H4	1.0853	2.1635	3.2715		1.7624	1.7624
H5	1.0853	2.1635	3.2715	1.7624		1.7624
H6	1.0853	2.1635	3.2715	1.7624	1.7624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.362
B2	C1	H5	110.362	B2	C1	H6	110.362
H4	C1	H5	108.566	H4	C1	H6	108.566
H5	C1	H6	108.566

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

using model chemistry: CCSD=FULL/cc-pVQZ

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 CH3BO (Borane, methyloxo-)

using model chemistry: CCSD=FULL/cc-pVQZ

States and conformations

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