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	hartrees
Energy at 0K	-266.201673
Energy at 298.15K	-266.205540
HF Energy	-266.201673
Nuclear repulsion energy	116.939704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3860	3725	53.78
2	A	3755	3623	18.21
3	A	3702	3573	45.89
4	A	3077	2969	11.27
5	A	1832	1768	286.89
6	A	1687	1628	58.91
7	A	1405	1356	13.36
8	A	1281	1236	4.83
9	A	1106	1068	237.18
10	A	1079	1041	2.98
11	A	684	660	126.39
12	A	614	593	43.22
13	A	432	417	209.99
14	A	240	232	92.50
15	A	181	175	65.37
16	A	131	127	0.50
17	A	99	95	11.79
18	A	80	77	6.48

Atom	x (Å)	y (Å)	z (Å)
H1	1.968	0.530	-0.090
O2	2.426	-0.318	-0.095
O3	-0.291	0.956	0.009
H4	2.977	-0.298	0.694
H5	-1.022	1.594	-0.007
C6	-0.828	-0.283	0.011
O7	-2.004	-0.527	-0.001
H8	-0.010	-1.016	0.030

	H1	O2	O3	H4	H5	C6	O7	H8
H1		0.9640	2.3005	1.5227	3.1740	2.9132	4.1105	2.5125
O2	0.9640		3.0028	0.9622	3.9436	3.2562	4.4361	2.5371
O3	2.3005	3.0028		3.5667	0.9705	1.3504	2.2652	1.9913
H4	1.5227	0.9622	3.5667		4.4790	3.8659	5.0343	3.1428
H5	3.1740	3.9436	0.9705	4.4790		1.8879	2.3375	2.7995
C6	2.9132	3.2562	1.3504	3.8659	1.8879		1.2008	1.0981
O7	4.1105	4.4361	2.2652	5.0343	2.3375	1.2008		2.0534
H8	2.5125	2.5371	1.9913	3.1428	2.7995	1.0981	2.0534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.470	H1	O3	H5	149.320
H1	O3	C6	102.745	O2	H1	O3	129.066
O3	C6	O7	125.110	O3	C6	H8	108.395
H5	O3	C6	107.743	O7	C6	H8	126.495

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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