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	hartrees
Energy at 0K	-65.885466
Energy at 298.15K	-65.889400
HF Energy	-65.885466
Nuclear repulsion energy	31.828212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	2982	12.33
2	A'	3017	2881	4.03
3	A'	2607	2489	110.30
4	A'	1506	1437	2.45
5	A'	1359	1297	71.93
6	A'	1260	1203	23.59
7	A'	1086	1037	74.62
8	A'	983	939	12.01
9	A'	553	528	0.82
10	A"	3176	3032	15.00
11	A"	2680	2559	159.39
12	A"	1465	1399	4.36
13	A"	1069	1020	21.36
14	A"	681	651	0.46
15	A"	164	157	2.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.682	0.000
B2	-0.019	0.871	0.000
H3	1.053	-0.949	0.000
H4	-0.440	-1.145	0.895
H5	-0.440	-1.145	-0.895
H6	0.016	1.488	-1.027
H7	0.016	1.488	1.027

	C1	B2	H3	H4	H5	H6	H7
C1		1.5532	1.1043	1.0921	1.0921	2.4011	2.4011
B2	1.5532		2.1117	2.2452	2.2452	1.1985	1.1985
H3	1.1043	2.1117		1.7516	1.7516	2.8401	2.8401
H4	1.0921	2.2452	1.7516		1.7908	3.2913	2.6749
H5	1.0921	2.2452	1.7516	1.7908		2.6749	3.2913
H6	2.4011	1.1985	2.8401	3.2913	2.6749		2.0537
H7	2.4011	1.1985	2.8401	2.6749	3.2913	2.0537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.987	C1	B2	H7	120.987
B2	C1	H3	103.956	B2	C1	H4	115.045
B2	C1	H5	115.045	H3	C1	H4	105.782
H3	C1	H5	105.782	H4	C1	H5	110.147
H6	B2	H7	117.917

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B1B95/6-31G**

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	-0.637
2	B	0.135
3	H	0.183
4	H	0.178
5	H	0.178
6	H	-0.018
7	H	-0.018

	x	y	z	Total
	0.138	-0.715	0.000	0.728
CHELPG
AIM
ESP

	x	y	z
x	2.722	-0.015	0.000
y	-0.015	4.143	0.000
z	0.000	0.000	3.649

<r²>	29.041
(<r²>)^1/2	5.389

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)