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	hartrees
Energy at 0K	-65.557917
Energy at 298.15K	-65.561822
HF Energy	-65.557917
Nuclear repulsion energy	31.984358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3018	2985	5.89
2	A'	2893	2861	7.70
3	A'	2511	2484	90.38
4	A'	1397	1382	5.02
5	A'	1257	1243	92.06
6	A'	1181	1168	1.85
7	A'	1033	1022	45.48
8	A'	982	971	12.84
9	A'	468	463	1.52
10	A"	3079	3045	4.53
11	A"	2587	2559	116.75
12	A"	1333	1318	6.14
13	A"	1017	1006	18.31
14	A"	653	646	0.31
15	A"	213	211	3.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.026	-0.671	0.000
B2	-0.026	0.856	0.000
H3	1.070	-0.880	0.000
H4	-0.409	-1.160	0.905
H5	-0.409	-1.160	-0.905
H6	0.016	1.474	-1.033
H7	0.016	1.474	1.033

	C1	B2	H3	H4	H5	H6	H7
C1		1.5274	1.1151	1.0977	1.0977	2.3811	2.3811
B2	1.5274		2.0528	2.2427	2.2427	1.2044	1.2044
H3	1.1151	2.0528		1.7558	1.7558	2.7780	2.7780
H4	1.0977	2.2427	1.7558		1.8110	3.2974	2.6703
H5	1.0977	2.2427	1.7558	1.8110		2.6703	3.2974
H6	2.3811	1.2044	2.7780	3.2974	2.6703		2.0665
H7	2.3811	1.2044	2.7780	2.6703	3.2974	2.0665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.841	C1	B2	H7	120.841
B2	C1	H3	100.788	B2	C1	H4	116.418
B2	C1	H5	116.418	H3	C1	H4	105.025
H3	C1	H5	105.025	H4	C1	H5	111.158
H6	B2	H7	118.163

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: LSDA/cc-pVTZ

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	-0.369
2	B	-0.119
3	H	0.125
4	H	0.127
5	H	0.127
6	H	0.054
7	H	0.054

	x	y	z	Total
	0.174	-0.891	0.000	0.908
CHELPG
AIM
ESP

	x	y	z
x	3.602	-0.041	0.000
y	-0.041	5.154	0.000
z	0.000	0.000	4.390

<r²>	29.057
(<r²>)^1/2	5.390

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)