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	hartrees
Energy at 0K	-22.753627
Energy at 298.15K	-22.755062
HF Energy	-22.753627
Nuclear repulsion energy	17.265682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2827	2827	66.19
2	A₁	1654	1654	59.64
3	A₁	1488	1488	20.12
4	B₁	1157	1157	11.09
5	B₂	2909	2909	178.30
6	B₂	1220	1220	5.49

Atom	y (Å)	z (Å)
O1	0.000	0.700
C2	0.000	-0.553
H3	0.950	-1.143
H4	-0.950	-1.143

	O1	C2	H3	H4
O1		1.2528	2.0732	2.0732
C2	1.2528		1.1180	1.1180
H3	2.0732	1.1180		1.8990
H4	2.0732	1.1180	1.8990

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.864		O1	C2	H4	121.864
H3	C2	H4	116.272

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBEPBE/CEP-121G

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	-0.127
2	C	-0.115
3	H	0.121
4	H	0.121

	x	y	z	Total
	0.000	0.000	-2.464	2.464
CHELPG
AIM
ESP

<r²>	16.047
(<r²>)^1/2	4.006

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBEPBE/CEP-121G

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)