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	hartrees
Energy at 0K	-22.786208
Energy at 298.15K	-22.787646
HF Energy	-22.786208
Nuclear repulsion energy	17.358604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2976	2849	82.04
2	A₁	1704	1631	59.59
3	A₁	1527	1462	16.44
4	B₁	1184	1134	18.22
5	B₂	3066	2935	172.35
6	B₂	1249	1196	7.11

Atom	y (Å)	z (Å)
O1	0.000	0.696
C2	0.000	-0.550
H3	0.946	-1.134
H4	-0.946	-1.134

	O1	C2	H3	H4
O1		1.2464	2.0606	2.0606
C2	1.2464		1.1117	1.1117
H3	2.0606	1.1117		1.8917
H4	2.0606	1.1117	1.8917

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.700		O1	C2	H4	121.700
H3	C2	H4	116.600

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3PW91/CEP-31G

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	-0.119
2	C	-0.210
3	H	0.164
4	H	0.164

	x	y	z	Total
	0.000	0.000	-2.898	2.898
CHELPG
AIM
ESP

<r²>	15.794
(<r²>)^1/2	3.974

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3PW91/CEP-31G

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)