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	hartrees
Energy at 0K	-65.724703
Energy at 298.15K	-65.728646
HF Energy	-65.446102
Nuclear repulsion energy	31.431544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3098	2953
2	A'	2990	2850
3	A'	2578	2457
4	A'	1467	1398
5	A'	1325	1263
6	A'	1253	1194
7	A'	1087	1036
8	A'	969	923
9	A'	549	524
10	A"	3152	3005
11	A"	2650	2526
12	A"	1422	1355
13	A"	1061	1011
14	A"	678	646
15	A"	172	164

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		1.5747	1.1178	1.1052	1.1052	2.4310	2.4310
B2	1.5747		2.1338	2.2712	2.2712	1.2132	1.2132
H3	1.1178	2.1338		1.7772	1.7772	2.8688	2.8688
H4	1.1052	2.2712	1.7772		1.8156	3.3295	2.7028
H5	1.1052	2.2712	1.7772	1.8156		2.7028	3.3295
H6	2.4310	1.2132	2.8688	3.3295	2.7028		2.0821
H7	2.4310	1.2132	2.8688	2.7028	3.3295	2.0821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.836	C1	B2	H7	120.836
B2	C1	H3	103.538	B2	C1	H4	114.757
B2	C1	H5	114.757	H3	C1	H4	106.162
H3	C1	H5	106.162	H4	C1	H5	110.456
H6	B2	H7	118.214

All results from a given calculation for CH₃BH₂ (methylborane)

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

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)