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	hartrees
Energy at 0K	-65.738457
Energy at 298.15K	-65.742400
HF Energy	-65.449678
Nuclear repulsion energy	31.794829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3135	3135
2	A'	3033	3033
3	A'	2642	2642
4	A'	1516	1516
5	A'	1376	1376
6	A'	1298	1298
7	A'	1121	1121
8	A'	984	984
9	A'	575	575
10	A"	3185	3185
11	A"	2714	2714
12	A"	1476	1476
13	A"	1096	1096
14	A"	701	701
15	A"	145	145

Atom	x (Å)	y (Å)	z (Å)
C1	-0.016	-0.687	0.000
B2	-0.016	0.876	0.000
H3	1.050	-0.964	0.000
H4	-0.452	-1.136	0.893
H5	-0.452	-1.136	-0.893
H6	0.016	1.489	-1.021
H7	0.016	1.489	1.021

	C1	B2	H3	H4	H5	H6	H7
C1		1.5627	1.1015	1.0907	1.0907	2.4043	2.4043
B2	1.5627		2.1264	2.2441	2.2441	1.1920	1.1920
H3	1.1015	2.1264		1.7557	1.7557	2.8514	2.8514
H4	1.0907	2.2441	1.7557		1.7867	3.2832	2.6701
H5	1.0907	2.2441	1.7557	1.7867		2.6701	3.2832
H6	2.4043	1.1920	2.8514	3.2832	2.6701		2.0427
H7	2.4043	1.1920	2.8514	2.6701	3.2832	2.0427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.986	C1	B2	H7	120.986
B2	C1	H3	104.571	B2	C1	H4	114.329
B2	C1	H5	114.329	H3	C1	H4	106.423
H3	C1	H5	106.423	H4	C1	H5	109.986
H6	B2	H7	117.929

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: QCISD(TQ)=FULL/6-31+G**

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: QCISD(TQ)=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)