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	hartrees
Energy at 0K	-65.249811
Energy at 298.15K	-65.253700
HF Energy	-65.077350
Nuclear repulsion energy	31.382380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3044	2926	13.82
2	A'	2953	2838	4.46
3	A'	2570	2470	79.67
4	A'	1551	1490	3.38
5	A'	1416	1361	45.19
6	A'	1274	1225	46.02
7	A'	1111	1068	82.17
8	A'	953	916	13.49
9	A'	655	630	0.20
10	A"	3087	2967	18.90
11	A"	2642	2539	126.14
12	A"	1524	1464	4.39
13	A"	1105	1062	22.94
14	A"	711	683	0.49
15	A"	88	85	1.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	-0.698	0.000
B2	-0.013	0.890	0.000
H3	1.052	-1.017	0.000
H4	-0.471	-1.136	0.899
H5	-0.471	-1.136	-0.899
H6	0.014	1.513	-1.034
H7	0.014	1.513	1.034

	C1	B2	H3	H4	H5	H6	H7
C1		1.5875	1.1113	1.1003	1.1003	2.4410	2.4410
B2	1.5875		2.1837	2.2635	2.2635	1.2077	1.2077
H3	1.1113	2.1837		1.7724	1.7724	2.9239	2.9239
H4	1.1003	2.2635	1.7724		1.7978	3.3155	2.6972
H5	1.1003	2.2635	1.7724	1.7978		2.6972	3.3155
H6	2.4410	1.2077	2.9239	3.3155	2.6972		2.0678
H7	2.4410	1.2077	2.9239	2.6972	3.3155	2.0678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.091	C1	B2	H7	121.091
B2	C1	H3	106.696	B2	C1	H4	113.500
B2	C1	H5	113.500	H3	C1	H4	106.528
H3	C1	H5	106.528	H4	C1	H5	109.564
H6	B2	H7	117.756

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)