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	hartrees
Energy at 0K	-65.578419
Energy at 298.15K	-65.582315
HF Energy	-65.415865
Nuclear repulsion energy	31.465191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3088	2896	21.16
2	A'	3001	2814	5.40
3	A'	2584	2423	100.53
4	A'	1547	1451	4.05
5	A'	1428	1339	48.27
6	A'	1291	1211	46.50
7	A'	1127	1057	81.31
8	A'	972	912	11.41
9	A'	657	616	0.40
10	A"	3131	2936	27.16
11	A"	2653	2488	167.64
12	A"	1519	1425	5.09
13	A"	1118	1048	23.17
14	A"	717	672	1.03
15	A"	85	80	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.695	0.000
B2	-0.012	0.887	0.000
H3	1.049	-1.018	0.000
H4	-0.472	-1.133	0.897
H5	-0.472	-1.133	-0.897
H6	0.015	1.510	-1.031
H7	0.015	1.510	1.031

	C1	B2	H3	H4	H5	H6	H7
C1		1.5812	1.1092	1.0992	1.0992	2.4336	2.4336
B2	1.5812		2.1798	2.2574	2.2574	1.2048	1.2048
H3	1.1092	2.1798		1.7696	1.7696	2.9187	2.9187
H4	1.0992	2.2574	1.7696		1.7934	3.3073	2.6910
H5	1.0992	2.2574	1.7696	1.7934		2.6910	3.3073
H6	2.4336	1.2048	2.9187	3.3073	2.6910		2.0615
H7	2.4336	1.2048	2.9187	2.6910	3.3073	2.0615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.150	C1	B2	H7	121.150
B2	C1	H3	106.924	B2	C1	H4	113.524
B2	C1	H5	113.524	H3	C1	H4	106.511
H3	C1	H5	106.511	H4	C1	H5	109.335
H6	B2	H7	117.634

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CISD/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: CISD/6-31G

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)