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	hartrees
Energy at 0K	-65.938442
Energy at 298.15K	-65.942339
HF Energy	-65.938442
Nuclear repulsion energy	31.806663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	2960	15.44
2	A'	2992	2861	3.43
3	A'	2546	2435	116.19
4	A'	1488	1423	4.11
5	A'	1338	1280	74.43
6	A'	1250	1196	21.30
7	A'	1080	1033	70.10
8	A'	973	931	12.99
9	A'	571	546	0.52
10	A"	3146	3009	17.70
11	A"	2619	2505	162.22
12	A"	1437	1374	5.32
13	A"	1067	1021	20.54
14	A"	694	664	0.91
15	A"	128	123	1.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.683	0.000
B2	-0.018	0.873	0.000
H3	1.054	-0.949	0.000
H4	-0.441	-1.143	0.896
H5	-0.441	-1.143	-0.896
H6	0.015	1.487	-1.028
H7	0.015	1.487	1.028

	C1	B2	H3	H4	H5	H6	H7
C1		1.5560	1.1045	1.0922	1.0922	2.4015	2.4015
B2	1.5560		2.1139	2.2458	2.2458	1.1979	1.1979
H3	1.1045	2.1139		1.7535	1.7535	2.8408	2.8408
H4	1.0922	2.2458	1.7535		1.7924	3.2901	2.6720
H5	1.0922	2.2458	1.7535	1.7924		2.6720	3.2901
H6	2.4015	1.1979	2.8408	3.2901	2.6720		2.0559
H7	2.4015	1.1979	2.8408	2.6720	3.2901	2.0559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.844	C1	B2	H7	120.844
B2	C1	H3	103.929	B2	C1	H4	114.875
B2	C1	H5	114.875	H3	C1	H4	105.921
H3	C1	H5	105.921	H4	C1	H5	110.284
H6	B2	H7	118.213

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: wB97X-D/6-311G**

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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Number	Element	Mulliken
1	C	-0.474
2	B	0.137
3	H	0.126
4	H	0.128
5	H	0.128
6	H	-0.023
7	H	-0.023

	x	y	z	Total
	0.108	-0.620	0.000	0.630
CHELPG
AIM
ESP

	x	y	z
x	3.069	-0.022	0.000
y	-0.022	4.577	0.000
z	0.000	0.000	4.107

<r²>	29.302
(<r²>)^1/2	5.413

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)