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	hartrees
Energy at 0K	-65.724610
Energy at 298.15K	-65.728554
HF Energy	-65.446106
Nuclear repulsion energy	31.432345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3099	3033
2	A'	2991	2928
3	A'	2579	2524
4	A'	1467	1436
5	A'	1325	1297
6	A'	1253	1226
7	A'	1088	1065
8	A'	969	948
9	A'	550	538
10	A"	3153	3086
11	A"	2650	2594
12	A"	1422	1392
13	A"	1061	1039
14	A"	678	664
15	A"	172	168

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.692	0.000
B2	-0.019	0.882	0.000
H3	1.068	-0.954	0.000
H4	-0.447	-1.155	0.908
H5	-0.447	-1.155	-0.908
H6	0.017	1.504	-1.041
H7	0.017	1.504	1.041

	C1	B2	H3	H4	H5	H6	H7
C1		1.5746	1.1177	1.1051	1.1051	2.4309	2.4309
B2	1.5746		2.1339	2.2711	2.2711	1.2131	1.2131
H3	1.1177	2.1339		1.7772	1.7772	2.8689	2.8689
H4	1.1051	2.2711	1.7772		1.8155	3.3293	2.7027
H5	1.1051	2.2711	1.7772	1.8155		2.7027	3.3293
H6	2.4309	1.2131	2.8689	3.3293	2.7027		2.0820
H7	2.4309	1.2131	2.8689	2.7027	3.3293	2.0820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.837	C1	B2	H7	120.837
B2	C1	H3	103.547	B2	C1	H4	114.754
B2	C1	H5	114.754	H3	C1	H4	106.165
H3	C1	H5	106.165	H4	C1	H5	110.451
H6	B2	H7	118.211

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD(T)/cc-pVDZ

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(T)/cc-pVDZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)