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	hartrees
Energy at 0K	-65.718244
Energy at 298.15K	-65.722188
HF Energy	-65.446225
Nuclear repulsion energy	31.454213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	2950	15.11
2	A'	3012	2853	3.31
3	A'	2589	2452	107.21
4	A'	1477	1399	1.52
5	A'	1337	1266	62.39
6	A'	1260	1194	23.42
7	A'	1094	1036	65.94
8	A'	972	921	11.44
9	A'	561	532	0.71
10	A"	3166	3000	16.73
11	A"	2659	2519	162.23
12	A"	1433	1357	2.59
13	A"	1068	1011	19.65
14	A"	682	647	1.61
15	A"	163	154	1.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.692	0.000
B2	-0.018	0.882	0.000
H3	1.065	-0.960	0.000
H4	-0.449	-1.152	0.906
H5	-0.449	-1.152	-0.906
H6	0.015	1.504	-1.040
H7	0.015	1.504	1.040

	C1	B2	H3	H4	H5	H6	H7
C1		1.5743	1.1157	1.1038	1.1038	2.4299	2.4299
B2	1.5743		2.1370	2.2685	2.2685	1.2120	1.2120
H3	1.1157	2.1370		1.7752	1.7752	2.8729	2.8729
H4	1.1038	2.2685	1.7752		1.8115	3.3252	2.6999
H5	1.1038	2.2685	1.7752	1.8115		2.6999	3.3252
H6	2.4299	1.2120	2.8729	3.3252	2.6999		2.0799
H7	2.4299	1.2120	2.8729	2.6999	3.3252	2.0799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.854	C1	B2	H7	120.854
B2	C1	H3	103.893	B2	C1	H4	114.645
B2	C1	H5	114.645	H3	C1	H4	106.219
H3	C1	H5	106.219	H4	C1	H5	110.284
H6	B2	H7	118.194

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)