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	hartrees
Energy at 0K	-265.532182
Energy at 298.15K	-265.535794
HF Energy	-264.811328
Nuclear repulsion energy	117.223529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4050	3773	90.61
2	A	3925	3656	17.56
3	A	3888	3622	77.12
4	A	3242	3020	4.89
5	A	1893	1764	379.28
6	A	1659	1545	132.40
7	A	1464	1364	8.81
8	A	1326	1235	9.19
9	A	1164	1084	304.48
10	A	1096	1021	2.36
11	A	657	612	181.43
12	A	642	598	44.74
13	A	331	308	119.64
14	A	268	249	141.16
15	A	140	130	2.74
16	A	97	90	127.56
17	A	91	85	79.91
18	A	46	43	1.28

Atom	x (Å)	y (Å)	z (Å)
H1	1.969	0.520	-0.117
O2	2.435	-0.319	-0.084
O3	-0.292	0.949	0.008
H4	3.047	-0.255	0.651
H5	-1.011	1.594	-0.005
C6	-0.833	-0.289	0.007
O7	-2.014	-0.516	0.004
H8	-0.042	-1.038	0.011

	H1	O2	O3	H4	H5	C6	O7	H8
H1		0.9606	2.3047	1.5343	3.1692	2.9192	4.1170	2.5474
O2	0.9606		3.0087	0.9588	3.9418	3.2694	4.4538	2.5808
O3	2.3047	3.0087		3.6073	0.9658	1.3506	2.2601	2.0027
H4	1.5343	0.9588	3.6073		4.5072	3.9332	5.1085	3.2501
H5	3.1692	3.9418	0.9658	4.5072		1.8911	2.3357	2.8048
C6	2.9192	3.2694	1.3506	3.9332	1.8911		1.2022	1.0899
O7	4.1170	4.4538	2.2601	5.1085	2.3357	1.2022		2.0399
H8	2.5474	2.5808	2.0027	3.2501	2.8048	1.0899	2.0399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.135	H1	O3	H5	148.589
H1	O3	C6	102.865	O2	H1	O3	129.524
O3	C6	O7	124.487	O3	C6	H8	109.834
H5	O3	C6	108.299	O7	C6	H8	125.679

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 1)

using model chemistry: MP3=FULL/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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All results from a given calculation for H2OHCOOH (Water formic acid dimer 1)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 1)