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	hartrees
Energy at 0K	-114.484960
Energy at 298.15K	-114.486405
HF Energy	-114.484960
Nuclear repulsion energy	31.399664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2892	2784	70.64
2	A₁	1853	1784	115.58
3	A₁	1549	1491	7.52
4	B₁	1193	1149	2.47
5	B₂	2945	2835	176.58
6	B₂	1281	1233	14.39

Atom	y (Å)	z (Å)
O1	0.000	0.673
C2	0.000	-0.525
H3	0.940	-1.116
H4	-0.940	-1.116

	O1	C2	H3	H4
O1		1.1976	2.0204	2.0204
C2	1.1976		1.1104	1.1104
H3	2.0204	1.1104		1.8805
H4	2.0204	1.1104	1.8805

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.137		O1	C2	H4	122.137
H3	C2	H4	115.726

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3PW91/6-311G*

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	-0.258
2	C	-0.080
3	H	0.169
4	H	0.169

	x	y	z	Total
	0.000	0.000	-2.254	2.254
CHELPG
AIM
ESP

<r²>	16.810
(<r²>)^1/2	4.100

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)