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	hartrees
Energy at 0K	-264.787012
Energy at 298.15K	-264.791640
Nuclear repulsion energy	9.261984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4169	3746	117.94
2	A	4035	3626	78.27
3	A	3837	3448	490.31
4	A	3313	2976	79.53
5	A	2005	1802	445.94
6	A	1823	1638	177.45
7	A	1573	1413	6.85
8	A	1522	1368	32.54
9	A	1337	1201	287.66
10	A	1203	1081	0.99
11	A	920	827	248.91
12	A	744	668	59.99
13	A	515	463	181.12
14	A	343	308	117.00
15	A	214	192	99.95
16	A	210	189	3.84
17	A	170	153	88.98
18	A	137	123	11.24

Atom	x (Å)	y (Å)	z (Å)
H1	0.343	0.965	0.000
O2	-0.610	1.112	0.006
O3	1.974	0.006	-0.077
C4	-1.236	-0.039	0.005
O5	-0.719	-1.110	0.007
H6	-2.310	0.105	0.004
H7	2.704	-0.066	0.523
H8	1.515	-0.828	-0.052

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9637	1.8941	1.8712	2.3311	2.7892	2.6292	2.1427
O2	0.9637		2.8119	1.3103	2.2247	1.9765	3.5547	2.8774
O3	1.8941	2.8119		3.2117	2.9162	4.2865	0.9473	0.9522
C4	1.8712	1.3103	3.2117		1.1896	1.0839	3.9743	2.8624
O5	2.3311	2.2247	2.9162	1.1896		2.0024	3.6156	2.2521
H6	2.7892	1.9765	4.2865	1.0839	2.0024		5.0442	3.9377
H7	2.6292	3.5547	0.9473	3.9743	3.6156	5.0442		1.5250
H8	2.1427	2.8774	0.9522	2.8624	2.2521	3.9377	1.5250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	109.805	H1	O3	H7	132.574
H1	O3	H8	91.539	O2	H1	O3	158.219
O2	C4	O5	125.655	O2	C4	H6	110.938
O5	C4	H6	123.407	H7	O3	H8	106.806

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

using model chemistry: HF_cp_opt/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
	0.880	0.044	1.199	1.488
CHELPG
AIM
ESP

	x	y	z
x	0.713	0.190	0.225
y	0.190	0.728	-0.001
z	0.225	-0.001	0.684

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF_cp_opt/6-31G*

States and conformations

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