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	hartrees
Energy at 0K	-65.529278
Energy at 298.15K	-65.533162
HF Energy	-65.529278
Nuclear repulsion energy	31.826826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3044	2987	6.31
2	A'	2922	2867	6.17
3	A'	2540	2493	89.38
4	A'	1436	1409	4.11
5	A'	1295	1271	89.32
6	A'	1198	1175	5.86
7	A'	1042	1023	55.65
8	A'	984	965	11.26
9	A'	490	481	3.03
10	A"	3102	3044	6.43
11	A"	2619	2570	122.19
12	A"	1386	1360	6.07
13	A"	1025	1006	19.89
14	A"	657	645	0.02
15	A"	193	190	4.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	-0.676	0.000
B2	-0.024	0.862	0.000
H3	1.069	-0.903	0.000
H4	-0.422	-1.158	0.907
H5	-0.422	-1.158	-0.907
H6	0.019	1.483	-1.036
H7	0.019	1.483	1.036

	C1	B2	H3	H4	H5	H6	H7
C1		1.5372	1.1168	1.1019	1.1019	2.3951	2.3951
B2	1.5372		2.0759	2.2497	2.2497	1.2091	1.2091
H3	1.1168	2.0759		1.7642	1.7642	2.8058	2.8058
H4	1.1019	2.2497	1.7642		1.8141	3.3088	2.6811
H5	1.1019	2.2497	1.7642	1.8141		2.6811	3.3088
H6	2.3951	1.2091	2.8058	3.3088	2.6811		2.0724
H7	2.3951	1.2091	2.8058	2.6811	3.3088	2.0724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.940	C1	B2	H7	120.940
B2	C1	H3	101.749	B2	C1	H4	115.976
B2	C1	H5	115.976	H3	C1	H4	105.339
H3	C1	H5	105.339	H4	C1	H5	110.811
H6	B2	H7	117.960

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: LSDA/6-31G*

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	-0.632
2	B	0.026
3	H	0.201
4	H	0.192
5	H	0.192
6	H	0.011
7	H	0.011

	x	y	z	Total
	0.215	-0.914	0.000	0.939
CHELPG
AIM
ESP

	x	y	z
x	2.823	-0.016	0.000
y	-0.016	4.394	0.000
z	0.000	0.000	3.757

<r²>	28.956
(<r²>)^1/2	5.381

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)