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	hartrees
Energy at 0K	-65.678226
Energy at 298.15K	-65.682144
HF Energy	-65.441207
Nuclear repulsion energy	31.658153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3110	2962	15.62
2	A'	3016	2873	3.74
3	A'	2616	2491	96.56
4	A'	1531	1458	2.71
5	A'	1395	1328	55.60
6	A'	1285	1224	30.59
7	A'	1114	1061	69.02
8	A'	985	938	10.34
9	A'	603	574	0.32
10	A"	3156	3005	19.71
11	A"	2688	2560	146.55
12	A"	1499	1428	4.09
13	A"	1097	1045	19.96
14	A"	703	670	0.83
15	A"	125	119	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	-0.688	0.000
B2	-0.015	0.878	0.000
H3	1.051	-0.983	0.000
H4	-0.458	-1.137	0.897
H5	-0.458	-1.137	-0.897
H6	0.016	1.497	-1.029
H7	0.016	1.497	1.029

	C1	B2	H3	H4	H5	H6	H7
C1		1.5659	1.1062	1.0961	1.0961	2.4155	2.4155
B2	1.5659		2.1451	2.2497	2.2497	1.2012	1.2012
H3	1.1062	2.1451		1.7615	1.7615	2.8782	2.8782
H4	1.0961	2.2497	1.7615		1.7931	3.2973	2.6801
H5	1.0961	2.2497	1.7615	1.7931		2.6801	3.2973
H6	2.4155	1.2012	2.8782	3.2973	2.6801		2.0575
H7	2.4155	1.2012	2.8782	2.6801	3.2973	2.0575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.040	C1	B2	H7	121.040
B2	C1	H3	105.493	B2	C1	H4	114.204
B2	C1	H5	114.204	H3	C1	H4	106.224
H3	C1	H5	106.224	H4	C1	H5	109.761
H6	B2	H7	117.835

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)