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	hartrees
Energy at 0K	-65.776060
Energy at 298.15K	-65.780027
HF Energy	-65.459619
Nuclear repulsion energy	31.744993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3136	14.46
2	A'	3033	3033	3.33
3	A'	2600	2600	106.83
4	A'	1504	1504	2.98
5	A'	1352	1352	69.35
6	A'	1275	1275	26.31
7	A'	1108	1108	69.98
8	A'	980	980	10.98
9	A'	566	566	0.89
10	A"	3188	3188	16.82
11	A"	2672	2672	156.15
12	A"	1460	1460	3.98
13	A"	1084	1084	19.86
14	A"	693	693	1.67
15	A"	166	166	1.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.688	0.000
B2	-0.018	0.876	0.000
H3	1.055	-0.949	0.000
H4	-0.446	-1.142	0.897
H5	-0.446	-1.142	-0.897
H6	0.016	1.491	-1.026
H7	0.016	1.491	1.026

	C1	B2	H3	H4	H5	H6	H7
C1		1.5641	1.1044	1.0922	1.0922	2.4083	2.4083
B2	1.5641		2.1171	2.2491	2.2491	1.1963	1.1963
H3	1.1044	2.1171		1.7590	1.7590	2.8432	2.8432
H4	1.0922	2.2491	1.7590		1.7936	3.2922	2.6755
H5	1.0922	2.2491	1.7590	1.7936		2.6755	3.2922
H6	2.4083	1.1963	2.8432	3.2922	2.6755		2.0518
H7	2.4083	1.1963	2.8432	2.6755	3.2922	2.0518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.908	C1	B2	H7	120.908
B2	C1	H3	103.658	B2	C1	H4	114.540
B2	C1	H5	114.540	H3	C1	H4	106.404
H3	C1	H5	106.404	H4	C1	H5	110.388
H6	B2	H7	118.081

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: MP3=FULL/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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All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: MP3=FULL/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)