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	hartrees
Energy at 0K	-65.935015
Energy at 298.15K	-65.938955
HF Energy	-65.935015
Nuclear repulsion energy	31.832447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3077	2964	14.24
2	A'	2977	2867	3.73
3	A'	2557	2462	113.69
4	A'	1471	1417	3.69
5	A'	1323	1274	76.21
6	A'	1239	1194	18.39
7	A'	1079	1039	65.90
8	A'	976	940	12.29
9	A'	556	535	0.79
10	A"	3129	3014	16.16
11	A"	2627	2530	155.72
12	A"	1424	1371	5.24
13	A"	1057	1018	20.28
14	A"	684	658	0.66
15	A"	166	160	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.681	0.000
B2	-0.019	0.870	0.000
H3	1.055	-0.944	0.000
H4	-0.437	-1.146	0.897
H5	-0.437	-1.146	-0.897
H6	0.014	1.487	-1.027
H7	0.014	1.487	1.027

	C1	B2	H3	H4	H5	H6	H7
C1		1.5517	1.1060	1.0929	1.0929	2.3994	2.3994
B2	1.5517		2.1089	2.2457	2.2457	1.1983	1.1983
H3	1.1060	2.1089		1.7523	1.7523	2.8372	2.8372
H4	1.0929	2.2457	1.7523		1.7939	3.2917	2.6741
H5	1.0929	2.2457	1.7523	1.7939		2.6741	3.2917
H6	2.3994	1.1983	2.8372	3.2917	2.6741		2.0540
H7	2.3994	1.1983	2.8372	2.6741	3.2917	2.0540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.966	C1	B2	H7	120.966
B2	C1	H3	103.758	B2	C1	H4	115.144
B2	C1	H5	115.144	H3	C1	H4	105.666
H3	C1	H5	105.666	H4	C1	H5	110.306
H6	B2	H7	117.968

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B3PW91/6-311G**

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	-0.481
2	B	0.118
3	H	0.131
4	H	0.132
5	H	0.132
6	H	-0.016
7	H	-0.016

	x	y	z	Total
	0.121	-0.685	0.000	0.695
CHELPG
AIM
ESP

	x	y	z
x	3.063	-0.027	0.000
y	-0.027	4.642	0.000
z	0.000	0.000	4.097

<r²>	29.234
(<r²>)^1/2	5.407

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)