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	hartrees
Energy at 0K	-113.950923
Energy at 298.15K	-113.952356
HF Energy	-113.950923
Nuclear repulsion energy	31.325331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2785	2759	73.47
2	A₁	1811	1794	108.81
3	A₁	1462	1448	8.92
4	B₁	1143	1132	7.08
5	B₂	2836	2810	119.88
6	B₂	1214	1202	8.34

Atom	y (Å)	z (Å)
O1	0.000	0.673
C2	0.000	-0.525
H3	0.950	-1.117
H4	-0.950	-1.117

	O1	C2	H3	H4
O1		1.1982	2.0269	2.0269
C2	1.1982		1.1197	1.1197
H3	2.0269	1.1197		1.9006
H4	2.0269	1.1197	1.9006

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.926		O1	C2	H4	121.926
H3	C2	H4	116.148

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: LSDA/aug-cc-pVTZ

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	-0.386
2	C	-0.225
3	H	0.305
4	H	0.305

	x	y	z	Total
	0.000	0.000	-2.252	2.252
CHELPG
AIM
ESP

<r²>	17.088
(<r²>)^1/2	4.134

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)