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	hartrees
Energy at 0K	-65.786846
Energy at 298.15K	-65.790803
HF Energy	-65.466530
Nuclear repulsion energy	31.795943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3097	2960	13.55
2	A'	2997	2864	4.07
3	A'	2588	2473	108.08
4	A'	1497	1431	1.88
5	A'	1347	1287	62.88
6	A'	1275	1218	22.44
7	A'	1100	1051	63.71
8	A'	976	932	12.15
9	A'	570	545	0.80
10	A"	3147	3007	17.03
11	A"	2658	2539	155.27
12	A"	1455	1390	3.21
13	A"	1078	1030	19.39
14	A"	688	658	1.41
15	A"	160	153	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.686	0.000
B2	-0.017	0.876	0.000
H3	1.051	-0.958	0.000
H4	-0.444	-1.141	0.893
H5	-0.444	-1.141	-0.893
H6	0.014	1.489	-1.025
H7	0.014	1.489	1.025

	C1	B2	H3	H4	H5	H6	H7
C1		1.5618	1.1017	1.0894	1.0894	2.4048	2.4048
B2	1.5618		2.1215	2.2464	2.2464	1.1950	1.1950
H3	1.1017	2.1215		1.7508	1.7508	2.8480	2.8480
H4	1.0894	2.2464	1.7508		1.7866	3.2872	2.6726
H5	1.0894	2.2464	1.7508	1.7866		2.6726	3.2872
H6	2.4048	1.1950	2.8480	3.2872	2.6726		2.0501
H7	2.4048	1.1950	2.8480	2.6726	3.2872	2.0501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.884	C1	B2	H7	120.884
B2	C1	H3	104.260	B2	C1	H4	114.668
B2	C1	H5	114.668	H3	C1	H4	106.073
H3	C1	H5	106.073	H4	C1	H5	110.164
H6	B2	H7	118.146

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)