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	hartrees
Energy at 0K	-65.765618
Energy at 298.15K	-65.760690
HF Energy	-65.440047
Nuclear repulsion energy	31.676051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3222	25.23
2	A'	3136	3136	7.91
3	A'	2675	2675	123.47
4	A'	1615	1615	1.50
5	A'	1473	1473	45.46
6	A'	1339	1339	46.43
7	A'	1156	1156	88.90
8	A'	989	989	11.48
9	A'	643	643	1.48
10	A"	3264	3264	31.34
11	A"	2741	2741	192.97
12	A"	1583	1583	2.80
13	A"	1143	1143	22.50
14	A"	721	721	2.04
15	A"	123	123	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	-0.692	0.000
B2	-0.013	0.883	0.000
H3	1.040	-0.998	0.000
H4	-0.461	-1.134	0.888
H5	-0.461	-1.134	-0.888
H6	0.014	1.501	-1.026
H7	0.014	1.501	1.026

	C1	B2	H3	H4	H5	H6	H7
C1		1.5758	1.0968	1.0882	1.0882	2.4219	2.4219
B2	1.5758		2.1561	2.2495	2.2495	1.1980	1.1980
H3	1.0968	2.1561		1.7491	1.7491	2.8898	2.8898
H4	1.0882	2.2495	1.7491		1.7767	3.2918	2.6815
H5	1.0882	2.2495	1.7491	1.7767		2.6815	3.2918
H6	2.4219	1.1980	2.8898	3.2918	2.6815		2.0518
H7	2.4219	1.1980	2.8898	2.6815	3.2918	2.0518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.051	C1	B2	H7	121.051
B2	C1	H3	106.169	B2	C1	H4	113.956
B2	C1	H5	113.956	H3	C1	H4	106.352
H3	C1	H5	106.352	H4	C1	H5	109.431
H6	B2	H7	117.829

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CBS-Q

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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All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: CBS-Q

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)