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	hartrees
Energy at 0K	-264.786809
Energy at 298.15K	-264.779803
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4157	3735	128.30
2	A	4024	3616	104.51
3	A	3824	3436	487.21
4	A	3315	2978	76.45
5	A	1997	1794	465.42
6	A	1831	1645	143.35
7	A	1574	1414	5.03
8	A	1526	1371	28.80
9	A	1342	1206	281.24
10	A	1204	1082	0.73
11	A	937	842	239.51
12	A	748	672	66.83
13	A	578	520	244.33
14	A	352	316	115.18
15	A	247	222	77.83
16	A	218	196	29.89
17	A	179	161	52.74
18	A	166	149	7.98

Atom	x (Å)	y (Å)	z (Å)
H1	0.351	0.972	-0.029
O2	-0.603	1.112	0.000
O3	1.964	0.004	-0.083
C4	-1.222	-0.040	0.014
O5	-0.700	-1.111	0.002
H6	-2.297	0.095	0.041
H7	2.540	-0.071	0.666
H8	1.454	-0.801	-0.113

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9645	1.8817	1.8716	2.3336	2.7908	2.5222	2.0900
O2	0.9645		2.7967	1.3086	2.2251	1.9768	3.4234	2.8113
O3	1.8817	2.7967		3.1878	2.8892	4.2637	0.9480	0.9532
C4	1.8716	1.3086	3.1878		1.1909	1.0837	3.8185	2.7853
O5	2.3336	2.2251	2.8892	1.1909		2.0011	3.4675	2.1798
H6	2.7908	1.9768	4.2637	1.0837	2.0011		4.8802	3.8599
H7	2.5222	3.4234	0.9480	3.8185	3.4675	4.8802		1.5226
H8	2.0900	2.8113	0.9532	2.7853	2.1798	3.8599	1.5226

Number	Element	Mulliken
1	H	0.522
2	O	-0.696
3	O	-0.911
4	C	0.538
5	O	-0.560
6	H	0.178
7	H	0.449
8	H	0.480

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

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
	0.452	0.112	1.383	1.460
CHELPG
AIM
ESP

<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/6-31G*

States and conformations

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