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	hartrees
Energy at 0K	-140.004646
Energy at 298.15K	-140.007187
HF Energy	-139.826730
Nuclear repulsion energy	54.323514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	2939	0.02
2	A₁	2010	1921	155.36
3	A₁	1352	1292	13.94
4	A₁	823	787	0.01
5	E	3148	3009	0.68
5	E	3148	3009	0.68
6	E	1476	1411	5.27
6	E	1476	1411	5.27
7	E	923	882	22.94
7	E	923	882	22.94
8	E	360	344	11.13
8	E	360	344	11.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.293
B2	0.000	0.000	0.239
O3	0.000	0.000	1.448
H4	0.000	1.019	-1.674
H5	0.882	-0.509	-1.674
H6	-0.882	-0.509	-1.674

	C1	B2	O3	H4	H5	H6
C1		1.5322	2.7412	1.0874	1.0874	1.0874
B2	1.5322		1.2091	2.1672	2.1672	2.1672
O3	2.7412	1.2091		3.2839	3.2839	3.2839
H4	1.0874	2.1672	3.2839		1.7643	1.7643
H5	1.0874	2.1672	3.2839	1.7643		1.7643
H6	1.0874	2.1672	3.2839	1.7643	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.494
B2	C1	H5	110.494	B2	C1	H6	110.494
H4	C1	H5	108.430	H4	C1	H6	108.430
H5	C1	H6	108.430

All results from a given calculation for CH₃BO (Borane, methyloxo-)

using model chemistry: B2PLYP=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 CH3BO (Borane, methyloxo-)

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃BO (Borane, methyloxo-)