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	hartrees
Energy at 0K	-65.790196
Energy at 298.15K	-65.794147
HF Energy	-65.466856
Nuclear repulsion energy	31.783938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	2958	13.52
2	A'	2996	2863	3.81
3	A'	2587	2473	108.30
4	A'	1502	1435	1.96
5	A'	1349	1290	58.53
6	A'	1271	1215	26.87
7	A'	1099	1051	60.81
8	A'	974	931	12.04
9	A'	574	549	0.79
10	A"	3143	3004	16.85
11	A"	2657	2539	154.88
12	A"	1458	1394	3.46
13	A"	1077	1029	18.32
14	A"	688	657	1.62
15	A"	155	148	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.686	0.000
B2	-0.017	0.876	0.000
H3	1.051	-0.961	0.000
H4	-0.446	-1.140	0.893
H5	-0.446	-1.140	-0.893
H6	0.013	1.489	-1.026
H7	0.013	1.489	1.026

	C1	B2	H3	H4	H5	H6	H7
C1		1.5623	1.1021	1.0900	1.0900	2.4052	2.4052
B2	1.5623		2.1244	2.2467	2.2467	1.1952	1.1952
H3	1.1021	2.1244		1.7518	1.7518	2.8513	2.8513
H4	1.0900	2.2467	1.7518		1.7868	3.2873	2.6722
H5	1.0900	2.2467	1.7518	1.7868		2.6722	3.2873
H6	2.4052	1.1952	2.8513	3.2873	2.6722		2.0513
H7	2.4052	1.1952	2.8513	2.6722	3.2873	2.0513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.854	C1	B2	H7	120.854
B2	C1	H3	104.415	B2	C1	H4	114.616
B2	C1	H5	114.616	H3	C1	H4	106.096
H3	C1	H5	106.096	H4	C1	H5	110.097
H6	B2	H7	118.213

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)