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	hartrees
Energy at 0K	-264.779301
Energy at 298.15K	-264.771575
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4167	3744	114.63
2	A	4046	3635	51.47
3	A	4039	3629	140.83
4	A	3358	3017	21.22
5	A	2003	1800	484.77
6	A	1844	1657	108.77
7	A	1553	1395	13.16
8	A	1448	1301	25.72
9	A	1287	1156	289.95
10	A	1212	1089	1.10
11	A	728	654	214.50
12	A	699	628	61.10
13	A	520	467	315.87
14	A	284	255	126.10
15	A	162	146	85.72
16	A	155	140	37.57
17	A	88	79	16.87
18	A	82	73	15.96

Atom	x (Å)	y (Å)	z (Å)
H1	-1.837	0.431	-0.131
O2	-2.454	-0.291	-0.080
O3	0.233	0.916	-0.002
H4	-3.003	-0.105	0.668
C5	0.693	-0.180	0.004
O6	1.984	-0.442	0.010
H7	0.105	-1.087	0.007
H8	2.468	0.380	0.005

	H1	O2	O3	H4	C5	O6	H7	H8
H1		0.9508	2.1303	1.5119	2.6065	3.9227	2.4688	4.3076
O2	0.9508		2.9467	0.9471	3.1503	4.4420	2.6814	4.9682
O3	2.1303	2.9467		3.4594	1.1878	2.2160	2.0064	2.2981
H4	1.5119	0.9471	3.4594		3.7565	5.0424	3.3263	5.5328
C5	2.6065	3.1503	1.1878	3.7565		1.3178	1.0811	1.8609
O6	3.9227	4.4420	2.2160	5.0424	1.3178		1.9869	0.9535
H7	2.4688	2.6814	2.0064	3.3263	1.0811	1.9869		2.7810
H8	4.3076	4.9682	2.2981	5.5328	1.8609	0.9535	2.7810

Number	Element	Mulliken
1	H	0.471
2	O	-0.910
3	O	-0.550
4	H	0.431
5	C	0.534
6	O	-0.657
7	H	0.214
8	H	0.468

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 2)

using model chemistry: HF_cp/6-31G*

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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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
	1.551	0.479	1.330	2.099
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>	126.810
(<r²>)^1/2	11.261

All results from a given calculation for H2OHCOOH (Water formic acid dimer 2)

using model chemistry: HF_cp/6-31G*

States and conformations

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 2)