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	hartrees
Energy at 0K	-265.801673
Energy at 298.15K	-265.793550
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3975	3776	121.97
2	A	3849	3656	34.15
3	A	3786	3597	87.33
4	A	3151	2994	6.12
5	A	1808	1718	315.84
6	A	1632	1550	107.11
7	A	1420	1349	7.49
8	A	1284	1220	7.73
9	A	1118	1062	284.77
10	A	1069	1016	3.12
11	A	665	632	140.04
12	A	628	596	35.08
13	A	340	323	57.21
14	A	281	267	144.30
15	A	143	136	1.54
16	A	85	81	12.15
17	A	69	65	125.03
18	A	46	44	28.27

Atom	x (Å)	y (Å)	z (Å)
H1	-1.872	0.500	-0.000
O2	-2.334	-0.343	-0.000
O3	0.243	0.934	0.000
H4	-3.265	-0.119	0.001
H5	0.969	1.574	-0.001
C6	0.813	-0.293	0.000
O7	1.998	-0.484	-0.000
H8	0.035	-1.058	0.001

	H1	O2	O3	H4	H5	C6	O7	H8
H1		0.9612	2.1588	1.5241	3.0371	2.7994	3.9933	2.4625
O2	0.9612		2.8755	0.9580	3.8186	3.1468	4.3341	2.4741
O3	2.1588	2.8755		3.6621	0.9679	1.3532	2.2566	2.0032
H4	1.5241	0.9580	3.6621		4.5596	4.0814	5.2758	3.4310
H5	3.0371	3.8186	0.9679	4.5596		1.8738	2.3010	2.7932
C6	2.7994	3.1468	1.3532	4.0814	1.8738		1.2007	1.0911
O7	3.9933	4.3341	2.2566	5.2758	2.3010	1.2007		2.0457
H8	2.4625	2.4741	2.0032	3.4310	2.7932	1.0911	2.0457

Number	Element	Mulliken
1	H	0.205
2	O	-0.329
3	O	-0.525
4	H	0.136
5	H	0.181
6	C	1.004
7	O	-0.775
8	H	0.102

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 1)

using model chemistry: MP2_cp/6-311+G(3df,2pd)

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
	-2.284	2.451	0.002	3.350
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2OHCOOH (Water formic acid dimer 1)

using model chemistry: MP2_cp/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 1)