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	hartrees
Energy at 0K	-265.807050
Energy at 298.15K	-265.810600
HF Energy	-264.915485
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	116.980396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3961	3769	106.80
2	A	3832	3646	27.31
3	A	3766	3583	84.16
4	A	3160	3006	7.89
5	A	1808	1721	296.48
6	A	1648	1568	88.16
7	A	1423	1354	7.56
8	A	1293	1230	5.50
9	A	1115	1061	283.03
10	A	1072	1020	3.81
11	A	662	630	140.75
12	A	627	597	36.48
13	A	351	334	115.25
14	A	244	232	111.49
15	A	135	128	10.32
16	A	99	94	66.08
17	A	73	69	66.53
18	A	45	43	13.43

Atom	x (Å)	y (Å)	z (Å)
H1	1.975	0.517	-0.119
O2	2.437	-0.323	-0.083
O3	-0.290	0.948	0.007
H4	3.055	-0.231	0.643
H5	-1.016	1.587	-0.009
C6	-0.838	-0.285	0.009
O7	-2.016	-0.517	0.003
H8	-0.039	-1.029	0.015

	H1	O2	O3	H4	H5	C6	O7	H8
H1		0.9594	2.3096	1.5179	3.1784	2.9278	4.1244	2.5419
O2	0.9594		3.0108	0.9574	3.9468	3.2766	4.4582	2.5763
O3	2.3096	3.0108		3.6031	0.9665	1.3497	2.2636	1.9931
H4	1.5179	0.9574	3.6031		4.5050	3.9440	5.1186	3.2556
H5	3.1784	3.9468	0.9665	4.5050		1.8807	2.3293	2.7923
C6	2.9278	3.2766	1.3497	3.9440	1.8807		1.2006	1.0915
O7	4.1244	4.4582	2.2636	5.1186	2.3293	1.2006		2.0426
H8	2.5419	2.5763	1.9931	3.2556	2.7923	1.0915	2.0426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.724	H1	O3	H5	149.172
H1	O3	C6	103.129	O2	H1	O3	129.352
O3	C6	O7	125.040	O3	C6	H8	108.999
H5	O3	C6	107.424	O7	C6	H8	125.961

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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