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	hartrees
Energy at 0K	-114.354458
Energy at 298.15K	-114.355888
HF Energy	-114.354458
Nuclear repulsion energy	30.363997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2870	2870	83.79
2	A₁	1655	1655	58.02
3	A₁	1490	1490	13.84
4	B₁	1159	1159	18.92
5	B₂	2937	2937	156.14
6	B₂	1215	1215	2.97

Atom	y (Å)	z (Å)
O1	0.000	0.699
C2	0.000	-0.551
H3	0.947	-1.145
H4	-0.947	-1.145

	O1	C2	H3	H4
O1		1.2500	2.0730	2.0730
C2	1.2500		1.1179	1.1179
H3	2.0730	1.1179		1.8938
H4	2.0730	1.1179	1.8938

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.105		O1	C2	H4	122.105
H3	C2	H4	115.791

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBEPBEultrafine/SDD

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	-0.173
2	C	-0.187
3	H	0.180
4	H	0.180

	x	y	z	Total
	0.000	0.000	-2.588	2.588
CHELPG
AIM
ESP

<r²>	17.505
(<r²>)^1/2	4.184

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBEPBEultrafine/SDD

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)