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	hartrees
Energy at 0K	-113.265205
Energy at 298.15K	-113.266644
HF Energy	-113.265205
Nuclear repulsion energy	30.794510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2791	2741	40.64
2	A₁	1751	1720	51.34
3	A₁	1535	1507	8.60
4	B₁	1184	1163	7.36
5	B₂	2826	2775	192.99
6	B₂	1246	1223	5.79

Atom	y (Å)	z (Å)
O1	0.000	0.689
C2	0.000	-0.535
H3	0.935	-1.152
H4	-0.935	-1.152

	O1	C2	H3	H4
O1		1.2245	2.0652	2.0652
C2	1.2245		1.1204	1.1204
H3	2.0652	1.1204		1.8709
H4	2.0652	1.1204	1.8709

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	123.394		O1	C2	H4	123.394
H3	C2	H4	113.213

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: LSDA/3-21G*

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	-0.331
2	C	-0.012
3	H	0.172
4	H	0.172

	x	y	z	Total
	0.000	0.000	-1.967	1.967
CHELPG
AIM
ESP

<r²>	17.267
(<r²>)^1/2	4.155

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)