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	hartrees
Energy at 0K	-65.695706
Energy at 298.15K	-65.699670
HF Energy	-65.448601
Nuclear repulsion energy	31.893717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	2992	11.88
2	A'	3095	2892	1.97
3	A'	2685	2509	101.36
4	A'	1543	1442	1.63
5	A'	1391	1300	69.79
6	A'	1315	1229	23.85
7	A'	1134	1060	82.12
8	A'	998	932	11.05
9	A'	583	545	0.56
10	A"	3257	3043	13.88
11	A"	2766	2584	153.08
12	A"	1502	1403	3.01
13	A"	1107	1035	20.62
14	A"	709	663	1.01
15	A"	148	139	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.685	0.000
B2	-0.017	0.873	0.000
H3	1.046	-0.959	0.000
H4	-0.448	-1.134	0.891
H5	-0.448	-1.134	-0.891
H6	0.017	1.485	-1.019
H7	0.017	1.485	1.019

	C1	B2	H3	H4	H5	H6	H7
C1		1.5585	1.0971	1.0863	1.0863	2.3981	2.3981
B2	1.5585		2.1177	2.2378	2.2378	1.1892	1.1892
H3	1.0971	2.1177		1.7475	1.7475	2.8407	2.8407
H4	1.0863	2.2378	1.7475		1.7811	3.2747	2.6634
H5	1.0863	2.2378	1.7475	1.7811		2.6634	3.2747
H6	2.3981	1.1892	2.8407	3.2747	2.6634		2.0379
H7	2.3981	1.1892	2.8407	2.6634	3.2747	2.0379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.984	C1	B2	H7	120.984
B2	C1	H3	104.427	B2	C1	H4	114.402
B2	C1	H5	114.402	H3	C1	H4	106.327
H3	C1	H5	106.327	H4	C1	H5	110.128
H6	B2	H7	117.925

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)