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	hartrees
Energy at 0K	-265.653683
Energy at 298.15K	-265.657319
HF Energy	-264.894683
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	116.594213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3962	3756	92.33
2	A	3834	3634	26.98
3	A	3775	3579	74.18
4	A	3176	3011	9.39
5	A	1812	1718	303.60
6	A	1624	1539	80.24
7	A	1451	1375	6.77
8	A	1301	1233	3.18
9	A	1118	1060	304.10
10	A	1069	1014	4.60
11	A	661	626	168.47
12	A	636	603	38.01
13	A	367	348	148.31
14	A	250	237	129.28
15	A	141	134	28.14
16	A	120	114	104.75
17	A	74	70	30.20
18	A	45	43	14.15

Atom	x (Å)	y (Å)	z (Å)
H1	1.890	0.493	-0.062
O2	2.374	-0.340	-0.071
O3	-0.244	0.929	0.027
H4	3.228	-0.122	0.310
H5	-0.958	1.572	-0.109
C6	-0.832	-0.296	0.063
O7	-2.017	-0.477	-0.045
H8	-0.068	-1.062	0.201

	H1	O2	O3	H4	H5	C6	O7	H8
H1		0.9634	2.1793	1.5194	3.0461	2.8364	4.0250	2.5137
O2	0.9634		2.9107	0.9608	3.8421	3.2089	4.3927	2.5607
O3	2.1793	2.9107		3.6389	0.9708	1.3593	2.2643	2.0064
H4	1.5194	0.9608	3.6389		4.5361	4.0718	5.2692	3.4297
H5	3.0461	3.8421	0.9708	4.5361		1.8797	2.3073	2.7975
C6	2.8364	3.2089	1.3593	4.0718	1.8797		1.2033	1.0908
O7	4.0250	4.3927	2.2643	5.2692	2.3073	1.2033		2.0492
H8	2.5137	2.5607	2.0064	3.4297	2.7975	1.0908	2.0492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.299	H1	O3	H5	147.968
H1	O3	C6	104.144	O2	H1	O3	131.711
O3	C6	O7	124.045	O3	C6	H8	109.463
H5	O3	C6	106.359	O7	C6	H8	126.493

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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