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	hartrees
Energy at 0K	-65.736267
Energy at 298.15K	-65.740182
HF Energy	-65.447487
Nuclear repulsion energy	31.434504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3068	3068
2	A'	2962	2962
3	A'	2557	2557
4	A'	1458	1458
5	A'	1314	1314
6	A'	1241	1241
7	A'	1078	1078
8	A'	960	960
9	A'	549	549
10	A"	3120	3120
11	A"	2626	2626
12	A"	1413	1413
13	A"	1054	1054
14	A"	669	669
15	A"	158	158

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.692	0.000
B2	-0.018	0.884	0.000
H3	1.065	-0.965	0.000
H4	-0.448	-1.155	0.906
H5	-0.448	-1.155	-0.906
H6	0.014	1.504	-1.039
H7	0.014	1.504	1.039

	C1	B2	H3	H4	H5	H6	H7
C1		1.5758	1.1172	1.1045	1.1045	2.4298	2.4298
B2	1.5758		2.1427	2.2722	2.2722	1.2109	1.2109
H3	1.1172	2.1427		1.7738	1.7738	2.8777	2.8777
H4	1.1045	2.2722	1.7738		1.8116	3.3270	2.7024
H5	1.1045	2.2722	1.7738	1.8116		2.7024	3.3270
H6	2.4298	1.2109	2.8777	3.3270	2.7024		2.0790
H7	2.4298	1.2109	2.8777	2.7024	3.3270	2.0790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.809	C1	B2	H7	120.809
B2	C1	H3	104.135	B2	C1	H4	114.804
B2	C1	H5	114.804	H3	C1	H4	105.956
H3	C1	H5	105.956	H4	C1	H5	110.192
H6	B2	H7	118.292

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: QCISD(TQ)/aug-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(TQ)/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)