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	hartrees
Energy at 0K	-265.574484
Energy at 298.15K	-265.578453
HF Energy	-264.846625
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	117.035430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3975	3778	65.20
2	A	3841	3650	15.89
3	A	3771	3583	56.69
4	A	3175	3017	10.68
5	A	1835	1744	285.89
6	A	1759	1671	95.53
7	A	1439	1368	7.60
8	A	1314	1249	2.41
9	A	1139	1082	305.06
10	A	1088	1034	4.83
11	A	711	676	185.77
12	A	637	605	52.53
13	A	489	464	283.70
14	A	237	225	147.59
15	A	183	174	113.63
16	A	148	141	0.79
17	A	101	96	21.18
18	A	76	72	14.74

Atom	x (Å)	y (Å)	z (Å)
H1	1.960	0.526	-0.107
O2	2.417	-0.316	-0.089
O3	-0.289	0.957	0.011
H4	3.005	-0.312	0.666
H5	-1.014	1.595	-0.005
C6	-0.824	-0.283	0.009
O7	-2.001	-0.527	-0.000
H8	-0.011	-1.016	0.020

	H1	O2	O3	H4	H5	C6	O7	H8
H1		0.9587	2.2933	1.5464	3.1623	2.9021	4.1004	2.5060
O2	0.9587		2.9923	0.9571	3.9285	3.2426	4.4236	2.5285
O3	2.2933	2.9923		3.5904	0.9661	1.3507	2.2658	1.9929
H4	1.5464	0.9571	3.5904		4.4992	3.8851	5.0545	3.1633
H5	3.1623	3.9285	0.9661	4.4992		1.8883	2.3411	2.7980
C6	2.9021	3.2426	1.3507	3.8851	1.8883		1.2018	1.0952
O7	4.1004	4.4236	2.2658	5.0545	2.3411	1.2018		2.0496
H8	2.5060	2.5285	1.9929	3.1633	2.7980	1.0952	2.0496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	107.645	H1	O3	H5	149.233
H1	O3	C6	102.480	O2	H1	O3	129.139
O3	C6	O7	125.064	O3	C6	H8	108.678
H5	O3	C6	108.027	O7	C6	H8	126.258

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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