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	hartrees
Energy at 0K	-64.271216
Energy at 298.15K	-64.272268
HF Energy	-64.271216
Nuclear repulsion energy	23.769379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3087	3052	28.15
2	A₁	2772	2741	10.83
3	A₁	1492	1475	59.46
4	A₁	1178	1165	21.89
5	B₁	672	665	80.56
6	B₁	606	599	8.82
7	B₂	3162	3126	9.22
8	B₂	864	854	27.62
9	B₂	335	332	3.48

Atom	y (Å)	z (Å)
C1	0.000	0.591
B2	0.000	-0.788
H3	0.928	1.185
H4	-0.928	1.185
H5	0.000	-1.979

	C1	B2	H3	H4	H5
C1		1.3785	1.1017	1.1017	2.5702
B2	1.3785		2.1801	2.1801	1.1916
H3	1.1017	2.1801		1.8551	3.2977
H4	1.1017	2.1801	1.8551		3.2977
H5	2.5702	1.1916	3.2977	3.2977

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.655
B2	C1	H4	122.655		H4	C1	H3	114.690

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: LSDA/aug-cc-pVDZ

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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Number	Element	Mulliken
1	C	0.738
2	B	-0.568
3	H	-0.334
4	H	-0.334
5	H	0.499

	x	y	z	Total
	0.000	0.000	-0.459	0.459
CHELPG
AIM
ESP

<r²>	21.959
(<r²>)^1/2	4.686

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)