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	hartrees
Energy at 0K	-263.781035
Energy at 298.15K	-263.774869
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3569	3536
2	A	3357	3325
3	A	3081	3052
4	A	2871	2844
5	A	1757	1741
6	A	1693	1677
7	A	1544	1530
8	A	1426	1413
9	A	1185	1174
10	A	1170	1159
11	A	1043	1033
12	A	816	808
13	A	703	696
14	A	463	459
15	A	370	367
16	A	332	329
17	A	255	253
18	A	238	236

Atom	x (Å)	y (Å)	z (Å)
H1	0.524	0.948	-0.054
O2	-0.485	1.166	-0.003
O3	1.808	-0.036	-0.090
C4	-1.176	-0.005	0.021
O5	-0.666	-1.150	-0.002
H6	-2.256	0.174	0.066
H7	2.341	-0.098	0.744
H8	1.193	-0.830	-0.117

	H1	O2	O3	C4	O5	H6	H7	H8
H1		1.0337	1.6177	1.9503	2.4127	2.8884	2.2431	1.9008
O2	1.0337		2.5902	1.3597	2.3234	2.0314	3.1847	2.6106
O3	1.6177	2.5902		2.9862	2.7147	4.0721	0.9916	1.0043
C4	1.9503	1.3597	2.9862		1.2543	1.0952	3.5922	2.5132
O5	2.4127	2.3234	2.7147	1.2543		2.0697	3.2727	1.8906
H6	2.8884	2.0314	4.0721	1.0952	2.0697		4.6548	3.5971
H7	2.2431	3.1847	0.9916	3.5922	3.2727	4.6548		1.6107
H8	1.9008	2.6106	1.0043	2.5132	1.8906	3.5971	1.6107

Number	Element	Mulliken
1	H	0.458
2	O	-0.731
3	O	-0.764
4	C	0.613
5	O	-0.631
6	H	0.245
7	H	0.388
8	H	0.423

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

using model chemistry: CCSD(T)_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
	0.382	-0.187	1.690	1.743
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>	90.232
(<r²>)^1/2	9.499

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

using model chemistry: CCSD(T)_cp/3-21G

States and conformations

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