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	hartrees
Energy at 0K	-65.827615
Energy at 298.15K	-65.831647
HF Energy	-65.466421
Nuclear repulsion energy	31.927735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3094	2961
2	A'	2980	2851
3	A'	2602	2490
4	A'	1497	1432
5	A'	1338	1280
6	A'	1271	1216
7	A'	1100	1053
8	A'	984	942
9	A'	555	531
10	A"	3137	3002
11	A"	2678	2563
12	A"	1451	1389
13	A"	1079	1033
14	A"	681	652
15	A"	218	208

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	-0.683	0.000
B2	-0.020	0.871	0.000
H3	1.054	-0.928	0.000
H4	-0.434	-1.143	0.893
H5	-0.434	-1.143	-0.893
H6	0.017	1.479	-1.021
H7	0.017	1.479	1.021

	C1	B2	H3	H4	H5	H6	H7
C1		1.5539	1.1014	1.0869	1.0869	2.3912	2.3912
B2	1.5539		2.0950	2.2421	2.2421	1.1891	1.1891
H3	1.1014	2.0950		1.7488	1.7488	2.8125	2.8125
H4	1.0869	2.2421	1.7488		1.7864	3.2780	2.6639
H5	1.0869	2.2421	1.7488	1.7864		2.6639	3.2780
H6	2.3912	1.1891	2.8125	3.2780	2.6639		2.0425
H7	2.3912	1.1891	2.8125	2.6639	3.2780	2.0425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.747	C1	B2	H7	120.747
B2	C1	H3	102.851	B2	C1	H4	115.069
B2	C1	H5	115.069	H3	C1	H4	106.095
H3	C1	H5	106.095	H4	C1	H5	110.524
H6	B2	H7	118.379

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: QCISD(T)=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)