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	hartrees
Energy at 0K	-265.442500
Energy at 298.15K	-265.434717
Nuclear repulsion energy

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

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

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

States and conformations

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