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	hartrees
Energy at 0K	-65.692779
Energy at 298.15K	-65.696705
HF Energy	-65.441134
Nuclear repulsion energy	31.665689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3097	3097
2	A'	3000	3000
3	A'	2609	2609
4	A'	1525	1525
5	A'	1386	1386
6	A'	1281	1281
7	A'	1111	1111
8	A'	984	984
9	A'	592	592
10	A"	3144	3144
11	A"	2681	2681
12	A"	1492	1492
13	A"	1093	1093
14	A"	701	701
15	A"	135	135

Atom	x (Å)	y (Å)	z (Å)
C1	-0.016	-0.687	0.000
B2	-0.016	0.877	0.000
H3	1.053	-0.976	0.000
H4	-0.455	-1.139	0.898
H5	-0.455	-1.139	-0.898
H6	0.016	1.496	-1.029
H7	0.016	1.496	1.029

	C1	B2	H3	H4	H5	H6	H7
C1		1.5640	1.1075	1.0969	1.0969	2.4141	2.4141
B2	1.5640		2.1395	2.2498	2.2498	1.2017	1.2017
H3	1.1075	2.1395		1.7631	1.7631	2.8721	2.8721
H4	1.0969	2.2498	1.7631		1.7957	3.2983	2.6800
H5	1.0969	2.2498	1.7631	1.7957		2.6800	3.2983
H6	2.4141	1.2017	2.8721	3.2983	2.6800		2.0584
H7	2.4141	1.2017	2.8721	2.6800	3.2983	2.0584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.032	C1	B2	H7	121.032
B2	C1	H3	105.137	B2	C1	H4	114.303
B2	C1	H5	114.303	H3	C1	H4	106.223
H3	C1	H5	106.223	H4	C1	H5	109.879
H6	B2	H7	117.844

All results from a given calculation for CH₃BH₂ (methylborane)

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

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)=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)