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	hartrees
Energy at 0K	-65.456647
Energy at 298.15K	-65.460565
HF Energy	-65.407873
Nuclear repulsion energy	31.637213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3097	2948	11.16
2	A'	3000	2856	4.02
3	A'	2628	2502	88.55
4	A'	1559	1484	3.87
5	A'	1414	1346	58.52
6	A'	1284	1222	43.22
7	A'	1120	1066	86.85
8	A'	974	927	13.98
9	A'	649	618	0.10
10	A"	3142	2992	15.69
11	A"	2701	2572	136.25
12	A"	1528	1454	5.39
13	A"	1107	1054	24.83
14	A"	713	679	0.22
15	A"	99	94	2.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.690	0.000
B2	-0.014	0.881	0.000
H3	1.048	-1.001	0.000
H4	-0.462	-1.132	0.895
H5	-0.462	-1.132	-0.895
H6	0.013	1.499	-1.026
H7	0.013	1.499	1.026

	C1	B2	H3	H4	H5	H6	H7
C1		1.5712	1.1061	1.0943	1.0943	2.4175	2.4175
B2	1.5712		2.1611	2.2481	2.2481	1.1978	1.1978
H3	1.1061	2.1611		1.7604	1.7604	2.8939	2.8939
H4	1.0943	2.2481	1.7604		1.7901	3.2917	2.6762
H5	1.0943	2.2481	1.7604	1.7901		2.6762	3.2917
H6	2.4175	1.1978	2.8939	3.2917	2.6762		2.0518
H7	2.4175	1.1978	2.8939	2.6762	3.2917	2.0518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.041	C1	B2	H7	121.041
B2	C1	H3	106.343	B2	C1	H4	113.798
B2	C1	H5	113.798	H3	C1	H4	106.260
H3	C1	H5	106.260	H4	C1	H5	109.753
H6	B2	H7	117.856

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)