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	hartrees
Energy at 0K	-65.527004
Energy at 298.15K	-65.530910
HF Energy	-65.527004
Nuclear repulsion energy	31.749622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3036	3003	6.11
2	A'	2901	2869	6.69
3	A'	2508	2480	95.87
4	A'	1374	1359	4.97
5	A'	1245	1231	82.59
6	A'	1156	1143	1.61
7	A'	1022	1011	40.47
8	A'	977	967	12.80
9	A'	457	452	3.27
10	A"	3103	3069	3.59
11	A"	2588	2560	126.95
12	A"	1307	1293	4.94
13	A"	1000	989	17.80
14	A"	645	638	0.11
15	A"	234	232	4.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.028	-0.675	0.000
B2	-0.028	0.859	0.000
H3	1.082	-0.864	0.000
H4	-0.404	-1.173	0.915
H5	-0.404	-1.173	-0.915
H6	0.017	1.484	-1.046
H7	0.017	1.484	1.046

	C1	B2	H3	H4	H5	H6	H7
C1		1.5341	1.1258	1.1076	1.1076	2.3998	2.3998
B2	1.5341		2.0491	2.2601	2.2601	1.2197	1.2197
H3	1.1258	2.0491		1.7720	1.7720	2.7818	2.7818
H4	1.1076	2.2601	1.7720		1.8308	3.3295	2.6933
H5	1.1076	2.2601	1.7720	1.8308		2.6933	3.3295
H6	2.3998	1.2197	2.7818	3.3295	2.6933		2.0929
H7	2.3998	1.2197	2.7818	2.6933	3.3295	2.0929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.824	C1	B2	H7	120.824
B2	C1	H3	99.631	B2	C1	H4	116.712
B2	C1	H5	116.712	H3	C1	H4	105.007
H3	C1	H5	105.007	H4	C1	H5	111.478
H6	B2	H7	118.169

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: LSDA/cc-pVDZ

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	-0.153
2	B	-0.129
3	H	0.103
4	H	0.076
5	H	0.076
6	H	0.013
7	H	0.013

	x	y	z	Total
	0.226	-0.975	0.000	1.001
CHELPG
AIM
ESP

	x	y	z
x	3.149	-0.046	0.000
y	-0.046	4.851	0.000
z	0.000	0.000	4.105

<r²>	29.182
(<r²>)^1/2	5.402

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)