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	hartrees
Energy at 0K	-65.239371
Energy at 298.15K	-65.243276
HF Energy	-65.077643
Nuclear repulsion energy	31.458616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	2905	13.56
2	A'	2997	2821	4.33
3	A'	2603	2451	83.79
4	A'	1568	1476	3.64
5	A'	1434	1350	48.32
6	A'	1289	1214	48.11
7	A'	1125	1059	87.96
8	A'	963	906	13.61
9	A'	666	627	0.25
10	A"	3128	2945	18.54
11	A"	2674	2517	133.75
12	A"	1541	1450	4.80
13	A"	1118	1052	24.12
14	A"	718	676	0.55
15	A"	85	80	1.76

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.696	0.000
B2	-0.012	0.888	0.000
H3	1.048	-1.018	0.000
H4	-0.471	-1.133	0.896
H5	-0.471	-1.133	-0.896
H6	0.014	1.510	-1.031
H7	0.014	1.510	1.031

	C1	B2	H3	H4	H5	H6	H7
C1		1.5846	1.1078	1.0970	1.0970	2.4356	2.4356
B2	1.5846		2.1809	2.2576	2.2576	1.2042	1.2042
H3	1.1078	2.1809		1.7671	1.7671	2.9190	2.9190
H4	1.0970	2.2576	1.7671		1.7922	3.3064	2.6903
H5	1.0970	2.2576	1.7671	1.7922		2.6903	3.3064
H6	2.4356	1.2042	2.9190	3.3064	2.6903		2.0617
H7	2.4356	1.2042	2.9190	2.6903	3.3064	2.0617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.096	C1	B2	H7	121.096
B2	C1	H3	106.853	B2	C1	H4	113.429
B2	C1	H5	113.429	H3	C1	H4	106.542
H3	C1	H5	106.542	H4	C1	H5	109.539
H6	B2	H7	117.745

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)