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	hartrees
Energy at 0K	-65.931508
Energy at 298.15K	-65.935407
HF Energy	-65.931508
Nuclear repulsion energy	31.785476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3092	3092	18.00
2	A'	2993	2993	4.18
3	A'	2541	2541	119.54
4	A'	1506	1506	5.42
5	A'	1359	1359	76.61
6	A'	1249	1249	25.77
7	A'	1080	1080	72.56
8	A'	972	972	12.37
9	A'	576	576	0.31
10	A"	3142	3142	21.70
11	A"	2615	2615	170.51
12	A"	1463	1463	6.55
13	A"	1072	1072	21.87
14	A"	693	693	0.91
15	A"	131	131	2.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.683	0.000
B2	-0.018	0.873	0.000
H3	1.051	-0.961	0.000
H4	-0.443	-1.143	0.895
H5	-0.443	-1.143	-0.895
H6	0.015	1.489	-1.029
H7	0.015	1.489	1.029

	C1	B2	H3	H4	H5	H6	H7
C1		1.5561	1.1043	1.0926	1.0926	2.4041	2.4041
B2	1.5561		2.1225	2.2469	2.2469	1.2001	1.2001
H3	1.1043	2.1225		1.7512	1.7512	2.8523	2.8523
H4	1.0926	2.2469	1.7512		1.7896	3.2930	2.6757
H5	1.0926	2.2469	1.7512	1.7896		2.6757	3.2930
H6	2.4041	1.2001	2.8523	3.2930	2.6757		2.0587
H7	2.4041	1.2001	2.8523	2.6757	3.2930	2.0587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.892	C1	B2	H7	120.892
B2	C1	H3	104.563	B2	C1	H4	114.927
B2	C1	H5	114.927	H3	C1	H4	105.717
H3	C1	H5	105.717	H4	C1	H5	109.969
H6	B2	H7	118.121

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: wB97X-D/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	-0.848
2	B	0.059
3	H	0.227
4	H	0.229
5	H	0.229
6	H	0.052
7	H	0.052

	x	y	z	Total
	0.109	-0.614	0.000	0.624
CHELPG
AIM
ESP

	x	y	z
x	3.000	-0.025	0.000
y	-0.025	4.508	0.000
z	0.000	0.000	4.060

<r²>	29.375
(<r²>)^1/2	5.420

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)