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	hartrees
Energy at 0K	-65.766575
Energy at 298.15K	-65.770534
HF Energy	-65.451893
Nuclear repulsion energy	31.830494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	2962	10.29
2	A'	3048	2870	2.64
3	A'	2645	2491	89.42
4	A'	1522	1433	1.48
5	A'	1367	1287	55.41
6	A'	1284	1209	23.79
7	A'	1108	1044	67.81
8	A'	985	927	12.41
9	A'	570	537	0.77
10	A"	3195	3008	12.63
11	A"	2720	2561	124.79
12	A"	1488	1401	3.12
13	A"	1085	1021	19.24
14	A"	694	653	0.74
15	A"	160	151	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.685	0.000
B2	-0.017	0.875	0.000
H3	1.049	-0.956	0.000
H4	-0.443	-1.142	0.892
H5	-0.443	-1.142	-0.892
H6	0.015	1.488	-1.023
H7	0.015	1.488	1.023

	C1	B2	H3	H4	H5	H6	H7
C1		1.5593	1.1007	1.0893	1.0893	2.4013	2.4013
B2	1.5593		2.1190	2.2460	2.2460	1.1930	1.1930
H3	1.1007	2.1190		1.7489	1.7489	2.8441	2.8441
H4	1.0893	2.2460	1.7489		1.7843	3.2852	2.6724
H5	1.0893	2.2460	1.7489	1.7843		2.6724	3.2852
H6	2.4013	1.1930	2.8441	3.2852	2.6724		2.0461
H7	2.4013	1.1930	2.8441	2.6724	3.2852	2.0461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.911	C1	B2	H7	120.911
B2	C1	H3	104.285	B2	C1	H4	114.826
B2	C1	H5	114.826	H3	C1	H4	105.984
H3	C1	H5	105.984	H4	C1	H5	109.972
H6	B2	H7	118.085

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)