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	hartrees
Energy at 0K	-114.360070
Energy at 298.15K	-114.361512
HF Energy	-114.360070
Nuclear repulsion energy	30.712928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2997	2997	71.48
2	A₁	1733	1733	68.52
3	A₁	1543	1543	15.51
4	B₁	1209	1209	16.50
5	B₂	3079	3079	127.27
6	B₂	1258	1258	5.51

Atom	y (Å)	z (Å)
O1	0.000	0.691
C2	0.000	-0.545
H3	0.938	-1.129
H4	-0.938	-1.129

	O1	C2	H3	H4
O1		1.2362	2.0476	2.0476
C2	1.2362		1.1048	1.1048
H3	2.0476	1.1048		1.8756
H4	2.0476	1.1048	1.8756

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.914		O1	C2	H4	121.914
H3	C2	H4	116.172

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: HSEh1PBE/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	-0.213
2	C	-0.147
3	H	0.180
4	H	0.180

	x	y	z	Total
	0.000	0.000	-2.759	2.759
CHELPG
AIM
ESP

<r²>	17.254
(<r²>)^1/2	4.154

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: HSEh1PBE/SDD

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)