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	hartrees
Energy at 0K	-114.517671
Energy at 298.15K
HF Energy	-114.517671
Nuclear repulsion energy	31.498139

Atom	y (Å)	z (Å)
O1	0.000	0.670
C2	0.000	-0.524
H3	0.938	-1.108
H4	-0.938	-1.108

	O1	C2	H3	H4
O1		1.1947	2.0111	2.0111
C2	1.1947		1.1053	1.1053
H3	2.0111	1.1053		1.8770
H4	2.0111	1.1053	1.8770

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.892		O1	C2	H4	121.892
H3	C2	H4	116.216

Number	Element	Mulliken
1	O	-0.447
2	C	-0.030
3	H	0.238
4	H	0.238

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: wB97X-D/aug-cc-pVQZ

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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<r²>	16.813
(<r²>)^1/2	4.100

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)