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	hartrees
Energy at 0K	-265.576915
Energy at 298.15K	-265.581138
HF Energy	-264.849490
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	117.472080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3964	3767	73.17
2	A	3816	3627	55.29
3	A	3766	3578	62.43
4	A	3180	3022	13.38
5	A	1810	1720	323.05
6	A	1770	1682	101.08
7	A	1436	1364	3.27
8	A	1350	1283	8.72
9	A	1182	1123	253.97
10	A	1098	1044	4.97
11	A	737	701	179.55
12	A	648	615	32.17
13	A	567	539	383.94
14	A	280	266	121.31
15	A	206	196	140.96
16	A	172	163	1.62
17	A	105	99	16.15
18	A	97	92	20.78

Atom	x (Å)	y (Å)	z (Å)
H1	-1.827	0.447	-0.102
O2	-2.436	-0.296	-0.093
O3	0.222	0.950	0.005
H4	-2.963	-0.223	0.702
C5	0.681	-0.167	0.010
O6	1.982	-0.468	0.004
H7	0.079	-1.082	0.022
H8	2.477	0.362	-0.010

	H1	O2	O3	H4	C5	O6	H7	H8
H1		0.9604	2.1123	1.5451	2.5850	3.9195	2.4472	4.3063
O2	0.9604		2.9365	0.9568	3.1213	4.4226	2.6375	4.9575
O3	2.1123	2.9365		3.4649	1.2080	2.2608	2.0372	2.3311
H4	1.5451	0.9568	3.4649		3.7100	5.0006	3.2337	5.5179
C5	2.5850	3.1213	1.2080	3.7100		1.3356	1.0954	1.8724
O6	3.9195	4.4226	2.2608	5.0006	1.3356		1.9999	0.9663
H7	2.4472	2.6375	2.0372	3.2337	1.0954	1.9999		2.7994
H8	4.3063	4.9575	2.3311	5.5179	1.8724	0.9663	2.7994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	107.401	H1	O3	C5	98.576
O2	H1	O3	142.957	O3	C5	O6	125.382
O3	C5	H7	124.298	C5	O6	H8	107.785
O6	C5	H7	110.320

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 2)

using model chemistry: MP2/6-311G*

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 2)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for H₂OHCOOH (Water formic acid dimer 2)