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	hartrees
Energy at 0K	-65.421259
Energy at 298.15K	-65.425247
HF Energy	-65.421259
Nuclear repulsion energy	31.710145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	2917	38.50
2	A'	3144	2831	12.60
3	A'	2666	2401	152.94
4	A'	1625	1463	7.95
5	A'	1501	1352	78.81
6	A'	1306	1176	42.33
7	A'	1179	1062	71.94
8	A'	1006	905	12.13
9	A'	708	637	0.23
10	A"	3287	2960	49.59
11	A"	2741	2468	234.28
12	A"	1592	1434	9.32
13	A"	1163	1047	23.47
14	A"	740	666	0.11
15	A"	106	95	2.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.694	0.000
B2	-0.012	0.884	0.000
H3	1.036	-1.009	0.000
H4	-0.464	-1.126	0.885
H5	-0.464	-1.126	-0.885
H6	0.010	1.501	-1.021
H7	0.010	1.501	1.021

	C1	B2	H3	H4	H5	H6	H7
C1		1.5777	1.0943	1.0843	1.0843	2.4205	2.4205
B2	1.5777		2.1638	2.2428	2.2428	1.1928	1.1928
H3	1.0943	2.1638		1.7460	1.7460	2.8975	2.8975
H4	1.0843	2.2428	1.7460		1.7707	3.2803	2.6732
H5	1.0843	2.2428	1.7460	1.7707		2.6732	3.2803
H6	2.4205	1.1928	2.8975	3.2803	2.6732		2.0413
H7	2.4205	1.1928	2.8975	2.6732	3.2803	2.0413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.148	C1	B2	H7	121.148
B2	C1	H3	106.753	B2	C1	H4	113.513
B2	C1	H5	113.513	H3	C1	H4	106.534
H3	C1	H5	106.534	H4	C1	H5	109.475
H6	B2	H7	117.661

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/SDD

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	-0.692
2	B	0.072
3	H	0.189
4	H	0.190
5	H	0.190
6	H	0.026
7	H	0.026

	x	y	z	Total
	0.114	-0.457	0.000	0.471
CHELPG
AIM
ESP

	x	y	z
x	2.536	0.009	0.000
y	0.009	3.486	0.000
z	0.000	0.000	3.211

<r²>	29.604
(<r²>)^1/2	5.441

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)