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	hartrees
Energy at 0K	-188.812077
Energy at 298.15K	-188.805547
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3933	3562	63.92
2	A	3799	3440	72.74
3	A	3311	2998	34.88
4	A	3196	2894	42.77
5	A	1881	1703	59.48
6	A	1826	1653	104.64
7	A	1670	1512	28.15
8	A	1374	1244	7.77
9	A	1362	1233	6.42
10	A	649	587	375.81
11	A	380	344	114.31
12	A	304	275	53.84
13	A	230	208	45.91
14	A	205	186	173.20
15	A	196	178	28.91

Atom	x (Å)	y (Å)	z (Å)
H1	1.024	-0.542	-0.146
O2	1.733	0.117	-0.087
O3	-0.932	-0.683	0.003
H4	2.260	-0.074	0.699
C5	-1.182	0.505	0.014
H6	-0.397	1.241	-0.008
H7	-2.200	0.871	0.045

	H1	O2	O3	H4	C5	H6	H7
H1		0.9691	1.9665	1.5684	2.4471	2.2842	3.5249
O2	0.9691		2.7831	0.9657	2.9423	2.4094	4.0060
O3	1.9665	2.7831		3.3229	1.2135	1.9971	2.0060
H4	1.5684	0.9657	3.3229		3.5572	3.0477	4.6055
C5	2.4471	2.9423	1.2135	3.5572		1.0772	1.0818
H6	2.2842	2.4094	1.9971	3.0477	1.0772		1.8412
H7	3.5249	4.0060	2.0060	4.6055	1.0818	1.8412

Number	Element	Mulliken
1	H	0.400
2	O	-0.777
3	O	-0.517
4	H	0.361
5	C	0.119
6	H	0.225
7	H	0.190

All results from a given calculation for H₂OH₂CO (water formaldehyde dimer)

using model chemistry: HF_cp/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z	Total
	-1.177	1.098	1.532	2.222
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	69.925
(<r²>)^1/2	8.362

All results from a given calculation for H2OH2CO (water formaldehyde dimer)

using model chemistry: HF_cp/3-21G

States and conformations

All results from a given calculation for H₂OH₂CO (water formaldehyde dimer)