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	hartrees
Energy at 0K	-65.875566
Energy at 298.15K	-65.879521
HF Energy	-65.793992
Nuclear repulsion energy	31.869337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3099	2958	14.60
2	A'	2999	2862	4.34
3	A'	2604	2485	110.69
4	A'	1496	1428	3.40
5	A'	1349	1288	73.30
6	A'	1274	1216	22.41
7	A'	1103	1053	68.99
8	A'	978	934	12.58
9	A'	567	541	0.79
10	A"	3149	3005	17.58
11	A"	2675	2553	158.36
12	A"	1450	1384	5.23
13	A"	1081	1031	19.16
14	A"	695	663	1.29
15	A"	159	152	1.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.683	0.000
B2	-0.018	0.872	0.000
H3	1.051	-0.952	0.000
H4	-0.442	-1.141	0.893
H5	-0.442	-1.141	-0.893
H6	0.014	1.485	-1.023
H7	0.014	1.485	1.023

	C1	B2	H3	H4	H5	H6	H7
C1		1.5545	1.1022	1.0896	1.0896	2.3970	2.3970
B2	1.5545		2.1139	2.2422	2.2422	1.1930	1.1930
H3	1.1022	2.1139		1.7498	1.7498	2.8391	2.8391
H4	1.0896	2.2422	1.7498		1.7863	3.2821	2.6679
H5	1.0896	2.2422	1.7498	1.7863		2.6679	3.2821
H6	2.3970	1.1930	2.8391	3.2821	2.6679		2.0459
H7	2.3970	1.1930	2.8391	2.6679	3.2821	2.0459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.922	C1	B2	H7	120.922
B2	C1	H3	104.147	B2	C1	H4	114.851
B2	C1	H5	114.851	H3	C1	H4	105.943
H3	C1	H5	105.943	H4	C1	H5	110.109
H6	B2	H7	118.064

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B2PLYP/TZVP

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	-0.429
2	B	0.159
3	H	0.116
4	H	0.123
5	H	0.123
6	H	-0.045
7	H	-0.045

	x	y	z	Total
	0.098	-0.599	0.000	0.607
CHELPG
AIM
ESP

	x	y	z
x	3.116	-0.013	0.000
y	-0.013	4.583	0.000
z	0.000	0.000	4.060

<r²>	29.359
(<r²>)^1/2	5.418

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: B2PLYP/TZVP

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)