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	hartrees
Energy at 0K	-265.521375
Energy at 298.15K	-265.514412
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3969	3733	124.92
2	A	3776	3551	112.10
3	A	3485	3278	578.22
4	A	3188	2999	60.10
5	A	1775	1670	329.62
6	A	1625	1529	170.25
7	A	1462	1375	0.59
8	A	1397	1314	14.69
9	A	1220	1148	251.40
10	A	1080	1016	16.41
11	A	915	860	164.04
12	A	684	643	41.94
13	A	544	512	153.69
14	A	359	338	95.27
15	A	253	238	126.73
16	A	214	201	14.90
17	A	180	169	50.23
18	A	161	151	13.05

Atom	x (Å)	y (Å)	z (Å)
H1	0.388	0.969	0.003
O2	-0.586	1.141	0.007
O3	1.906	0.004	-0.081
C4	-1.216	-0.038	0.006
O5	-0.679	-1.140	0.005
H6	-2.298	0.104	0.008
H7	2.659	-0.057	0.517
H8	1.415	-0.831	-0.013

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9883	1.8012	1.8937	2.3640	2.8221	2.5453	2.0727
O2	0.9883		2.7402	1.3368	2.2831	2.0024	3.4964	2.8090
O3	1.8012	2.7402		3.1236	2.8287	4.2067	0.9637	0.9715
C4	1.8937	1.3368	3.1236		1.2260	1.0918	3.9087	2.7477
O5	2.3640	2.2831	2.8287	1.2260		2.0419	3.5470	2.1168
H6	2.8221	2.0024	4.2067	1.0918	2.0419		4.9864	3.8291
H7	2.5453	3.4964	0.9637	3.9087	3.5470	4.9864		1.5583
H8	2.0727	2.8090	0.9715	2.7477	2.1168	3.8291	1.5583

Number	Element	Mulliken
1	H	0.482
2	O	-0.590
3	O	-0.822
4	C	0.584
5	O	-0.616
6	H	0.142
7	H	0.388
8	H	0.431

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

using model chemistry: MP2_cp/6-31+G**

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
	0.687	0.220	1.266	1.457
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>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: MP2_cp/6-31+G**

States and conformations

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