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	hartrees
Energy at 0K	-65.745590
Energy at 298.15K	-65.749563
HF Energy	-65.464543
Nuclear repulsion energy	31.898853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3000	12.16
2	A'	3039	2895	2.38
3	A'	2643	2518	108.50
4	A'	1504	1432	3.61
5	A'	1355	1291	84.01
6	A'	1296	1234	15.54
7	A'	1119	1066	72.03
8	A'	988	942	12.07
9	A'	557	531	1.07
10	A"	3203	3052	13.27
11	A"	2721	2592	154.78
12	A"	1456	1387	5.18
13	A"	1092	1041	18.93
14	A"	699	666	1.53
15	A"	168	160	1.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.684	0.000
B2	-0.018	0.871	0.000
H3	1.052	-0.941	0.000
H4	-0.442	-1.139	0.893
H5	-0.442	-1.139	-0.893
H6	0.016	1.483	-1.021
H7	0.016	1.483	1.021

	C1	B2	H3	H4	H5	H6	H7
C1		1.5553	1.1002	1.0877	1.0877	2.3957	2.3957
B2	1.5553		2.1043	2.2399	2.2399	1.1910	1.1910
H3	1.1002	2.1043		1.7511	1.7511	2.8267	2.8267
H4	1.0877	2.2399	1.7511		1.7853	3.2781	2.6644
H5	1.0877	2.2399	1.7511	1.7853		2.6644	3.2781
H6	2.3957	1.1910	2.8267	3.2781	2.6644		2.0429
H7	2.3957	1.1910	2.8267	2.6644	3.2781	2.0429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.892	C1	B2	H7	120.892
B2	C1	H3	103.493	B2	C1	H4	114.722
B2	C1	H5	114.722	H3	C1	H4	106.323
H3	C1	H5	106.323	H4	C1	H5	110.301
H6	B2	H7	118.111

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: MP2=FULL/TZVP

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)