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	hartrees
Energy at 0K	-65.466661
Energy at 298.15K	-65.470668
HF Energy	-65.466661
Nuclear repulsion energy	31.817545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	2900	23.77
2	A'	3099	2820	9.24
3	A'	2647	2409	133.19
4	A'	1591	1448	1.94
5	A'	1447	1317	49.31
6	A'	1342	1221	40.86
7	A'	1158	1054	76.61
8	A'	990	901	13.13
9	A'	640	582	1.65
10	A"	3227	2937	32.02
11	A"	2703	2460	204.43
12	A"	1553	1413	3.25
13	A"	1142	1040	22.27
14	A"	726	661	2.28
15	A"	136	123	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.689	0.000
B2	-0.014	0.879	0.000
H3	1.040	-0.981	0.000
H4	-0.455	-1.131	0.886
H5	-0.455	-1.131	-0.886
H6	0.012	1.493	-1.022
H7	0.012	1.493	1.022

	C1	B2	H3	H4	H5	H6	H7
C1		1.5677	1.0940	1.0835	1.0835	2.4093	2.4093
B2	1.5677		2.1378	2.2396	2.2396	1.1923	1.1923
H3	1.0940	2.1378		1.7442	1.7442	2.8671	2.8671
H4	1.0835	2.2396	1.7442		1.7717	3.2769	2.6680
H5	1.0835	2.2396	1.7442	1.7717		2.6680	3.2769
H6	2.4093	1.1923	2.8671	3.2769	2.6680		2.0432
H7	2.4093	1.1923	2.8671	2.6680	3.2769	2.0432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.003	C1	B2	H7	121.003
B2	C1	H3	105.481	B2	C1	H4	114.047
B2	C1	H5	114.047	H3	C1	H4	106.456
H3	C1	H5	106.456	H4	C1	H5	109.689
H6	B2	H7	117.931

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/cc-pVTZ

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	-0.355
2	B	0.026
3	H	0.090
4	H	0.106
5	H	0.106
6	H	0.014
7	H	0.014

	x	y	z	Total
	0.042	-0.503	0.000	0.504
CHELPG
AIM
ESP

	x	y	z
x	3.300	-0.012	0.000
y	-0.012	4.394	0.000
z	0.000	0.000	4.007

<r²>	29.472
(<r²>)^1/2	5.429

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)