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	hartrees
Energy at 0K	-22.765850
Energy at 298.15K	-22.767290
HF Energy	-22.765850
Nuclear repulsion energy	17.399305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3006	2855	77.39
2	A₁	1721	1635	61.14
3	A₁	1538	1461	16.60
4	B₁	1195	1135	18.11
5	B₂	3099	2944	162.17
6	B₂	1258	1195	7.56

Atom	y (Å)	z (Å)
O1	0.000	0.695
C2	0.000	-0.549
H3	0.944	-1.131
H4	-0.944	-1.131

	O1	C2	H3	H4
O1		1.2436	2.0553	2.0553
C2	1.2436		1.1090	1.1090
H3	2.0553	1.1090		1.8880
H4	2.0553	1.1090	1.8880

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.658		O1	C2	H4	121.658
H3	C2	H4	116.683

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: mPW1PW91/CEP-31G

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	-0.123
2	C	-0.212
3	H	0.167
4	H	0.167

	x	y	z	Total
	0.000	0.000	-2.922	2.922
CHELPG
AIM
ESP

<r²>	15.750
(<r²>)^1/2	3.969

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: mPW1PW91/CEP-31G

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)