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	hartrees
Energy at 0K	-65.687024
Energy at 298.15K	-65.690947
HF Energy	-65.441224
Nuclear repulsion energy	31.689396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	2959	14.90
2	A'	3022	2870	3.52
3	A'	2620	2488	95.60
4	A'	1532	1455	2.82
5	A'	1397	1327	56.62
6	A'	1287	1222	29.93
7	A'	1116	1060	69.52
8	A'	987	938	10.35
9	A'	603	573	0.32
10	A"	3161	3002	18.83
11	A"	2692	2557	145.27
12	A"	1500	1425	4.23
13	A"	1099	1044	20.04
14	A"	705	670	0.79
15	A"	127	120	1.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	-0.687	0.000
B2	-0.015	0.877	0.000
H3	1.050	-0.981	0.000
H4	-0.457	-1.136	0.896
H5	-0.457	-1.136	-0.896
H6	0.016	1.496	-1.028
H7	0.016	1.496	1.028

	C1	B2	H3	H4	H5	H6	H7
C1		1.5636	1.1056	1.0955	1.0955	2.4130	2.4130
B2	1.5636		2.1420	2.2473	2.2473	1.2006	1.2006
H3	1.1056	2.1420		1.7604	1.7604	2.8748	2.8748
H4	1.0955	2.2473	1.7604		1.7922	3.2946	2.6776
H5	1.0955	2.2473	1.7604	1.7922		2.6776	3.2946
H6	2.4130	1.2006	2.8748	3.2946	2.6776		2.0562
H7	2.4130	1.2006	2.8748	2.6776	3.2946	2.0562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.046	C1	B2	H7	121.046
B2	C1	H3	105.449	B2	C1	H4	114.222
B2	C1	H5	114.222	H3	C1	H4	106.222
H3	C1	H5	106.222	H4	C1	H5	109.766
H6	B2	H7	117.821

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD=FULL/6-31G*

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=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)