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	hartrees
Energy at 0K	-65.895962
Energy at 298.15K	-65.899843
HF Energy	-65.895962
Nuclear repulsion energy	31.583083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2992	2976	17.55
2	A'	2891	2876	5.60
3	A'	2528	2515	122.28
4	A'	1447	1439	3.46
5	A'	1299	1292	75.84
6	A'	1224	1217	21.19
7	A'	1067	1062	62.16
8	A'	947	942	13.29
9	A'	545	542	0.36
10	A"	3040	3024	21.61
11	A"	2592	2578	177.87
12	A"	1400	1392	5.80
13	A"	1037	1032	18.79
14	A"	670	667	1.03
15	A"	152	152	2.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.686	0.000
B2	-0.019	0.878	0.000
H3	1.063	-0.959	0.000
H4	-0.442	-1.155	0.903
H5	-0.442	-1.155	-0.903
H6	0.014	1.498	-1.033
H7	0.014	1.498	1.033

	C1	B2	H3	H4	H5	H6	H7
C1		1.5648	1.1153	1.1022	1.1022	2.4159	2.4159
B2	1.5648		2.1319	2.2653	2.2653	1.2044	1.2044
H3	1.1153	2.1319		1.7656	1.7656	2.8635	2.8635
H4	1.1022	2.2653	1.7656		1.8067	3.3157	2.6950
H5	1.1022	2.2653	1.7656	1.8067		2.6950	3.3157
H6	2.4159	1.2044	2.8635	3.3157	2.6950		2.0650
H7	2.4159	1.2044	2.8635	2.6950	3.3157	2.0650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.936	C1	B2	H7	120.936
B2	C1	H3	104.143	B2	C1	H4	115.192
B2	C1	H5	115.192	H3	C1	H4	105.538
H3	C1	H5	105.538	H4	C1	H5	110.089
H6	B2	H7	118.031

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: BLYP/6-31+G**

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	-0.594
2	B	0.168
3	H	0.158
4	H	0.159
5	H	0.159
6	H	-0.024
7	H	-0.024

	x	y	z	Total
	0.125	-0.718	0.000	0.729
CHELPG
AIM
ESP

	x	y	z
x	3.174	-0.040	0.000
y	-0.040	5.014	0.000
z	0.000	0.000	4.213

<r²>	29.804
(<r²>)^1/2	5.459

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)