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	hartrees
Energy at 0K	-65.856843
Energy at 298.15K	-65.860787
HF Energy	-65.776529
Nuclear repulsion energy	31.828195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3132	3132	14.17
2	A'	3032	3032	3.78
3	A'	2635	2635	103.14
4	A'	1518	1518	1.40
5	A'	1370	1370	63.68
6	A'	1288	1288	24.02
7	A'	1114	1114	76.00
8	A'	984	984	11.68
9	A'	578	578	0.51
10	A"	3183	3183	17.81
11	A"	2708	2708	152.89
12	A"	1475	1475	2.96
13	A"	1088	1088	19.90
14	A"	698	698	0.76
15	A"	149	149	1.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.684	0.000
B2	-0.017	0.874	0.000
H3	1.050	-0.960	0.000
H4	-0.445	-1.140	0.893
H5	-0.445	-1.140	-0.893
H6	0.015	1.488	-1.022
H7	0.015	1.488	1.022

	C1	B2	H3	H4	H5	H6	H7
C1		1.5583	1.1018	1.0903	1.0903	2.4013	2.4013
B2	1.5583		2.1217	2.2441	2.2441	1.1931	1.1931
H3	1.1018	2.1217		1.7508	1.7508	2.8478	2.8478
H4	1.0903	2.2441	1.7508		1.7867	3.2844	2.6710
H5	1.0903	2.2441	1.7508	1.7867		2.6710	3.2844
H6	2.4013	1.1931	2.8478	3.2844	2.6710		2.0446
H7	2.4013	1.1931	2.8478	2.6710	3.2844	2.0446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.991	C1	B2	H7	120.991
B2	C1	H3	104.497	B2	C1	H4	114.679
B2	C1	H5	114.679	H3	C1	H4	106.010
H3	C1	H5	106.010	H4	C1	H5	110.041
H6	B2	H7	117.925

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B2PLYP=FULL/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)