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	hartrees
Energy at 0K	-65.753305
Energy at 298.15K	-65.757256
HF Energy	-65.451880
Nuclear repulsion energy	31.752546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	2968	10.87
2	A'	3034	2874	2.86
3	A'	2632	2493	90.14
4	A'	1510	1430	1.37
5	A'	1360	1289	55.37
6	A'	1281	1214	23.37
7	A'	1106	1048	67.23
8	A'	978	926	12.20
9	A'	566	536	0.78
10	A"	3183	3016	13.39
11	A"	2706	2564	126.00
12	A"	1473	1395	2.89
13	A"	1083	1026	19.07
14	A"	689	653	0.78
15	A"	160	152	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.687	0.000
B2	-0.017	0.877	0.000
H3	1.052	-0.958	0.000
H4	-0.445	-1.144	0.894
H5	-0.445	-1.144	-0.894
H6	0.014	1.491	-1.025
H7	0.014	1.491	1.025

	C1	B2	H3	H4	H5	H6	H7
C1		1.5646	1.1032	1.0914	1.0914	2.4071	2.4071
B2	1.5646		2.1239	2.2514	2.2514	1.1946	1.1946
H3	1.1032	2.1239		1.7536	1.7536	2.8497	2.8497
H4	1.0914	2.2514	1.7536		1.7888	3.2918	2.6777
H5	1.0914	2.2514	1.7536	1.7888		2.6777	3.2918
H6	2.4071	1.1946	2.8497	3.2918	2.6777		2.0493
H7	2.4071	1.1946	2.8497	2.6777	3.2918	2.0493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.890	C1	B2	H7	120.890
B2	C1	H3	104.186	B2	C1	H4	114.749
B2	C1	H5	114.749	H3	C1	H4	106.074
H3	C1	H5	106.074	H4	C1	H5	110.065
H6	B2	H7	118.127

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: QCISD/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)