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	hartrees
Energy at 0K	-65.804762
Energy at 298.15K	-65.808724
HF Energy	-65.470872
Nuclear repulsion energy	31.852718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3103	2949	13.03
2	A'	3003	2854	3.68
3	A'	2591	2463	106.89
4	A'	1498	1424	2.11
5	A'	1350	1283	62.33
6	A'	1273	1210	23.35
7	A'	1099	1044	62.34
8	A'	978	930	12.03
9	A'	573	545	0.75
10	A"	3153	2997	16.03
11	A"	2661	2529	152.96
12	A"	1456	1384	3.57
13	A"	1080	1026	18.99
14	A"	689	655	1.40
15	A"	163	155	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.684	0.000
B2	-0.017	0.873	0.000
H3	1.049	-0.956	0.000
H4	-0.443	-1.139	0.892
H5	-0.443	-1.139	-0.892
H6	0.013	1.486	-1.024
H7	0.013	1.486	1.024

	C1	B2	H3	H4	H5	H6	H7
C1		1.5577	1.1004	1.0882	1.0882	2.3999	2.3999
B2	1.5577		2.1176	2.2421	2.2421	1.1938	1.1938
H3	1.1004	2.1176		1.7483	1.7483	2.8435	2.8435
H4	1.0882	2.2421	1.7483		1.7842	3.2818	2.6674
H5	1.0882	2.2421	1.7483	1.7842		2.6674	3.2818
H6	2.3999	1.1938	2.8435	3.2818	2.6674		2.0485
H7	2.3999	1.1938	2.8435	2.6674	3.2818	2.0485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.866	C1	B2	H7	120.866
B2	C1	H3	104.304	B2	C1	H4	114.695
B2	C1	H5	114.695	H3	C1	H4	106.035
H3	C1	H5	106.035	H4	C1	H5	110.135
H6	B2	H7	118.184

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD/cc-pVQZ

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-pVQZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)