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	hartrees
Energy at 0K	-264.918554
Energy at 298.15K	-264.911216
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4203	3826	142.45
2	A	4072	3707	86.63
3	A	3900	3550	450.37
4	A	3238	2948	59.74
5	A	1957	1781	470.90
6	A	1743	1587	150.36
7	A	1547	1409	4.60
8	A	1490	1357	27.50
9	A	1312	1195	280.34
10	A	1201	1093	0.01
11	A	863	785	170.30
12	A	738	671	47.46
13	A	479	436	123.87
14	A	328	298	84.74
15	A	189	172	61.24
16	A	176	160	13.63
17	A	156	142	102.77
18	A	128	117	17.31

Atom	x (Å)	y (Å)	z (Å)
H1	0.321	0.976	0.005
O2	-0.625	1.108	0.007
O3	1.990	0.010	-0.069
C4	-1.243	-0.044	0.005
O5	-0.721	-1.107	0.005
H6	-2.319	0.090	0.004
H7	2.772	-0.069	0.447
H8	1.529	-0.814	-0.020

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9553	1.9300	1.8678	2.3292	2.7857	2.7010	2.1594
O2	0.9553		2.8373	1.3073	2.2166	1.9769	3.6221	2.8863
O3	1.9300	2.8373		3.2347	2.9330	4.3110	0.9405	0.9457
C4	1.8678	1.3073	3.2347		1.1841	1.0846	4.0397	2.8767
O5	2.3292	2.2166	2.9330	1.1841		1.9967	3.6706	2.2685
H6	2.7857	1.9769	4.3110	1.0846	1.9967		5.1133	3.9527
H7	2.7010	3.6221	0.9405	4.0397	3.6706	5.1133		1.5230
H8	2.1594	2.8863	0.9457	2.8767	2.2685	3.9527	1.5230

Number	Element	Mulliken
1	H	0.329
2	O	-0.353
3	O	-0.442
4	C	-0.055
5	O	-0.584
6	H	0.654
7	H	0.177
8	H	0.273

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

using model chemistry: HF_cp/aug-cc-pVTZ

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
	0.773	0.286	0.972	1.274
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: HF_cp/aug-cc-pVTZ

States and conformations

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