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	hartrees
Energy at 0K	-65.958368
Energy at 298.15K	-65.962286
HF Energy	-65.958368
Nuclear repulsion energy	31.720843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3078	2963	19.41
2	A'	2978	2866	5.35
3	A'	2597	2500	126.54
4	A'	1496	1440	2.79
5	A'	1347	1296	74.41
6	A'	1267	1219	25.54
7	A'	1093	1052	69.57
8	A'	968	932	14.23
9	A'	555	534	0.55
10	A"	3128	3011	22.85
11	A"	2664	2564	185.19
12	A"	1453	1398	4.86
13	A"	1071	1030	19.49
14	A"	679	654	1.20
15	A"	154	148	1.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.685	0.000
B2	-0.018	0.877	0.000
H3	1.055	-0.958	0.000
H4	-0.442	-1.148	0.897
H5	-0.442	-1.148	-0.897
H6	0.015	1.491	-1.027
H7	0.015	1.491	1.027

	C1	B2	H3	H4	H5	H6	H7
C1		1.5622	1.1071	1.0948	1.0948	2.4072	2.4072
B2	1.5622		2.1258	2.2550	2.2550	1.1975	1.1975
H3	1.1071	2.1258		1.7552	1.7552	2.8527	2.8527
H4	1.0948	2.2550	1.7552		1.7942	3.2983	2.6818
H5	1.0948	2.2550	1.7552	1.7942		2.6818	3.2983
H6	2.4072	1.1975	2.8527	3.2983	2.6818		2.0546
H7	2.4072	1.1975	2.8527	2.6818	3.2983	2.0546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.872	C1	B2	H7	120.872
B2	C1	H3	104.277	B2	C1	H4	115.007
B2	C1	H5	115.007	H3	C1	H4	105.715
H3	C1	H5	105.715	H4	C1	H5	110.059
H6	B2	H7	118.156

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: TPSSh/6-31+G**

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	-0.605
2	B	0.178
3	H	0.165
4	H	0.168
5	H	0.168
6	H	-0.037
7	H	-0.037

	x	y	z	Total
	0.110	-0.655	0.000	0.664
CHELPG
AIM
ESP

	x	y	z
x	3.034	-0.029	0.000
y	-0.029	4.725	0.000
z	0.000	0.000	4.068

<r²>	29.461
(<r²>)^1/2	5.428

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)