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	hartrees
Energy at 0K	-65.916264
Energy at 298.15K	-65.920168
HF Energy	-65.916264
Nuclear repulsion energy	31.733906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2980	2970	14.12
2	A'	2881	2871	6.03
3	A'	2522	2513	111.52
4	A'	1443	1438	1.90
5	A'	1293	1289	65.42
6	A'	1227	1222	21.71
7	A'	1068	1065	54.58
8	A'	950	947	13.34
9	A'	549	547	0.46
10	A"	3024	3014	19.42
11	A"	2585	2576	154.38
12	A"	1393	1388	4.20
13	A"	1041	1038	16.85
14	A"	675	672	1.27
15	A"	155	155	1.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.683	0.000
B2	-0.019	0.874	0.000
H3	1.058	-0.954	0.000
H4	-0.437	-1.151	0.899
H5	-0.437	-1.151	-0.899
H6	0.012	1.491	-1.027
H7	0.012	1.491	1.027

	C1	B2	H3	H4	H5	H6	H7
C1		1.5572	1.1108	1.0969	1.0969	2.4041	2.4041
B2	1.5572		2.1223	2.2555	2.2555	1.1983	1.1983
H3	1.1108	2.1223		1.7561	1.7561	2.8507	2.8507
H4	1.0969	2.2555	1.7561		1.7983	3.3005	2.6829
H5	1.0969	2.2555	1.7561	1.7983		2.6829	3.3005
H6	2.4041	1.1983	2.8507	3.3005	2.6829		2.0547
H7	2.4041	1.1983	2.8507	2.6829	3.3005	2.0547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.941	C1	B2	H7	120.941
B2	C1	H3	104.151	B2	C1	H4	115.290
B2	C1	H5	115.290	H3	C1	H4	105.393
H3	C1	H5	105.393	H4	C1	H5	110.120
H6	B2	H7	118.030

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: BLYP/aug-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	-0.632
2	B	0.015
3	H	0.230
4	H	0.201
5	H	0.201
6	H	-0.008
7	H	-0.008

	x	y	z	Total
	0.096	-0.702	0.000	0.708
CHELPG
AIM
ESP

	x	y	z
x	3.955	-0.048	0.000
y	-0.048	5.384	0.000
z	0.000	0.000	4.594

<r²>	29.606
(<r²>)^1/2	5.441

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)