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	hartrees
Energy at 0K	-265.446868
Energy at 298.15K	-265.450767
HF Energy	-264.773560
Counterpoise corrected energy	-265.443396
CP Energy at 298.15K	-265.446911
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	116.492346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3896	3674	79.22
2	A	3762	3547	21.89
3	A	3684	3474	74.52
4	A	3204	3022	8.98
5	A	1836	1732	257.77
6	A	1744	1645	83.59
7	A	1438	1356	8.91
8	A	1311	1237	4.25
9	A	1137	1072	289.20
10	A	1085	1023	3.51
11	A	696	657	173.37
12	A	626	590	49.63
13	A	457	431	261.56
14	A	227	214	124.90
15	A	174	165	96.13
16	A	146	138	0.42
17	A	109	103	15.30
18	A	77	73	12.58

Atom	x (Å)	y (Å)	z (Å)
H1	1.967	0.527	-0.112
O2	2.428	-0.324	-0.089
O3	-0.286	0.959	0.008
H4	3.019	-0.270	0.675
H5	-1.021	1.603	-0.006
C6	-0.828	-0.284	0.009
O7	-2.014	-0.526	0.002
H8	-0.017	-1.022	0.018

	H1	O2	O3	H4	H5	C6	O7	H8
H1		0.9686	2.2972	1.5368	3.1774	2.9131	4.1201	2.5205
O2	0.9686		3.0038	0.9671	3.9517	3.2580	4.4481	2.5450
O3	2.2972	3.0038		3.5885	0.9771	1.3564	2.2790	1.9989
H4	1.5368	0.9671	3.5885		4.5045	3.9042	5.0844	3.1958
H5	3.1774	3.9517	0.9771	4.5045		1.8971	2.3498	2.8101
C6	2.9131	3.2580	1.3564	3.9042	1.8971		1.2107	1.0962
O7	4.1201	4.4481	2.2790	5.0844	2.3498	1.2107		2.0579
H8	2.5205	2.5450	1.9989	3.1958	2.8101	1.0962	2.0579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.108	H1	O3	H5	149.388
H1	O3	C6	102.693	O2	H1	O3	129.117
O3	C6	O7	125.092	O3	C6	H8	108.716
H5	O3	C6	107.672	O7	C6	H8	126.192

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

using model chemistry: MP2/6-31G*

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

using model chemistry: MP2/6-31G*

States and conformations

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