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	hartrees
Energy at 0K	-264.407526
Energy at 298.15K	-264.402010
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3437	3406	8.87
2	A	3024	2997	36.54
3	A	2571	2548	1052.43
4	A	1962	1945	542.36
5	A	1711	1696	395.43
6	A	1655	1640	61.97
7	A	1391	1379	180.34
8	A	1356	1344	73.62
9	A	1278	1267	338.57
10	A	1222	1211	59.08
11	A	1091	1081	227.10
12	A	1017	1008	1.78
13	A	731	725	3.71
14	A	570	565	62.21
15	A	498	493	46.55
16	A	458	454	135.74
17	A	312	309	0.20
18	A	285	283	22.40

Atom	x (Å)	y (Å)	z (Å)
H1	0.648	0.880	-0.063
O2	-0.462	1.164	-0.004
O3	1.686	-0.029	-0.096
C4	-1.119	0.003	0.023
O5	-0.578	-1.151	-0.004
H6	-2.213	0.117	0.072
H7	2.158	-0.067	0.790
H8	0.952	-0.811	-0.098

	H1	O2	O3	C4	O5	H6	H7	H8
H1		1.1477	1.3800	1.9743	2.3735	2.9644	1.9752	1.7178
O2	1.1477		2.4590	1.3336	2.3180	2.0414	3.0014	2.4305
O3	1.3800	2.4590		2.8075	2.5288	3.9055	1.0041	1.0718
C4	1.9743	1.3336	2.8075		1.2751	1.1014	3.3655	2.2285
O5	2.3735	2.3180	2.5288	1.2751		2.0706	3.0479	1.5709
H6	2.9644	2.0414	3.9055	1.1014	2.0706		4.4329	3.3029
H7	1.9752	3.0014	1.0041	3.3655	3.0479	4.4329		1.6714
H8	1.7178	2.4305	1.0718	2.2285	1.5709	3.3029	1.6714

Number	Element	Mulliken
1	H	0.352
2	O	-0.512
3	O	-0.627
4	C	0.338
5	O	-0.469
6	H	0.223
7	H	0.349
8	H	0.346

All results from a given calculation for HCOOHH₂O (Formic acid water dimer)

using model chemistry: PBEPBE_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
	0.760	-0.050	1.658	1.824
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>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for HCOOHH2O (Formic acid water dimer)

using model chemistry: PBEPBE_cp/3-21G

States and conformations

All results from a given calculation for HCOOHH₂O (Formic acid water dimer)