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	hartrees
Energy at 0K	-114.481309
Energy at 298.15K	-114.482755
HF Energy	-114.343062
Nuclear repulsion energy	31.367360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2926	2799	69.94
2	A₁	1792	1715	90.72
3	A₁	1544	1477	11.68
4	B₁	1208	1156	4.06
5	B₂	2988	2859	117.71
6	B₂	1275	1220	11.34

Atom	y (Å)	z (Å)
O1	0.000	0.674
C2	0.000	-0.528
H3	0.935	-1.111
H4	-0.935	-1.111

	O1	C2	H3	H4
O1		1.2026	2.0157	2.0157
C2	1.2026		1.1020	1.1020
H3	2.0157	1.1020		1.8703
H4	2.0157	1.1020	1.8703

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.945		O1	C2	H4	121.945
H3	C2	H4	116.110

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	O	-0.347
2	C	0.309
3	H	0.019
4	H	0.019

<r²>	16.898
(<r²>)^1/2	4.111

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B2PLYP/cc-pVQZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)