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	hartrees
Energy at 0K	-139.848085
Energy at 298.15K	-139.850655
HF Energy	-139.279191
Nuclear repulsion energy	54.560481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3108	3108	0.25
2	A₁	2103	2103	238.56
3	A₁	1358	1358	11.70
4	A₁	836	836	0.12
5	E	3176	3176	0.29
5	E	3176	3176	0.29
6	E	1491	1491	5.12
6	E	1491	1491	5.12
7	E	932	932	25.17
7	E	932	932	25.17
8	E	369	369	15.50
8	E	369	369	15.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.290
B2	0.000	0.000	0.244
O3	0.000	0.000	1.441
H4	0.000	1.018	-1.667
H5	0.882	-0.509	-1.667
H6	-0.882	-0.509	-1.667

	C1	B2	O3	H4	H5	H6
C1		1.5336	2.7307	1.0856	1.0856	1.0856
B2	1.5336		1.1971	2.1651	2.1651	2.1651
O3	2.7307	1.1971		3.2704	3.2704	3.2704
H4	1.0856	2.1651	3.2704		1.7631	1.7631
H5	1.0856	2.1651	3.2704	1.7631		1.7631
H6	1.0856	2.1651	3.2704	1.7631	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.334
B2	C1	H5	110.334	B2	C1	H6	110.334
H4	C1	H5	108.595	H4	C1	H6	108.595
H5	C1	H6	108.595

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

using model chemistry: MP3=FULL/aug-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: MP3=FULL/aug-cc-pVTZ

States and conformations

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