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	hartrees
Energy at 0K	-65.870817
Energy at 298.15K	-65.874776
HF Energy	-65.789084
Nuclear repulsion energy	31.827745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	3094	15.25
2	A'	2993	2993	4.52
3	A'	2588	2588	111.82
4	A'	1495	1495	3.10
5	A'	1344	1344	71.16
6	A'	1266	1266	23.30
7	A'	1100	1100	68.60
8	A'	977	977	12.20
9	A'	568	568	0.71
10	A"	3144	3144	18.70
11	A"	2657	2657	159.89
12	A"	1449	1449	4.49
13	A"	1077	1077	19.68
14	A"	693	693	1.19
15	A"	163	163	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.684	0.000
B2	-0.018	0.873	0.000
H3	1.054	-0.950	0.000
H4	-0.441	-1.143	0.895
H5	-0.441	-1.143	-0.895
H6	0.014	1.486	-1.024
H7	0.014	1.486	1.024

	C1	B2	H3	H4	H5	H6	H7
C1		1.5567	1.1043	1.0914	1.0914	2.3994	2.3994
B2	1.5567		2.1146	2.2456	2.2456	1.1937	1.1937
H3	1.1043	2.1146		1.7530	1.7530	2.8396	2.8396
H4	1.0914	2.2456	1.7530		1.7908	3.2863	2.6708
H5	1.0914	2.2456	1.7530	1.7908		2.6708	3.2863
H6	2.3994	1.1937	2.8396	3.2863	2.6708		2.0474
H7	2.3994	1.1937	2.8396	2.6708	3.2863	2.0474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.907	C1	B2	H7	120.907
B2	C1	H3	103.952	B2	C1	H4	114.861
B2	C1	H5	114.861	H3	C1	H4	105.945
H3	C1	H5	105.945	H4	C1	H5	110.253
H6	B2	H7	118.093

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B2PLYP/6-311G**

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	-0.430
2	B	0.143
3	H	0.115
4	H	0.116
5	H	0.116
6	H	-0.030
7	H	-0.030

	x	y	z	Total
	0.100	-0.604	0.000	0.612
CHELPG
AIM
ESP

	x	y	z
x	3.031	-0.027	0.000
y	-0.027	4.537	0.000
z	0.000	0.000	4.049

<r²>	29.391
(<r²>)^1/2	5.421

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: B2PLYP/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)