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	hartrees
Energy at 0K	-265.449800
Energy at 298.15K	-265.454023
HF Energy	-264.776854
Counterpoise corrected energy	-265.445426
CP Energy at 298.15K	-265.449180
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	117.007471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3880	3659	90.66
2	A	3731	3518	77.54
3	A	3682	3472	81.25
4	A	3209	3026	10.90
5	A	1811	1708	298.48
6	A	1756	1656	85.55
7	A	1438	1356	2.96
8	A	1352	1275	14.77
9	A	1174	1107	241.02
10	A	1098	1035	3.58
11	A	724	683	172.53
12	A	638	602	29.99
13	A	572	539	358.74
14	A	285	269	107.52
15	A	203	191	116.29
16	A	176	166	0.97
17	A	112	105	15.16
18	A	100	95	14.46

Atom	x (Å)	y (Å)	z (Å)
H1	-1.829	0.446	-0.114
O2	-2.444	-0.305	-0.090
O3	0.218	0.955	0.001
H4	-2.972	-0.168	0.708
C5	0.684	-0.169	0.008
O6	1.992	-0.469	0.007
H7	0.083	-1.086	0.017
H8	2.484	0.375	-0.004

	H1	O2	O3	H4	C5	O6	H7	H8
H1		0.9708	2.1130	1.5363	2.5898	3.9307	2.4539	4.3151
O2	0.9708		2.9467	0.9668	3.1318	4.4395	2.6470	4.9751
O3	2.1130	2.9467		3.4557	1.2167	2.2743	2.0458	2.3387
H4	1.5363	0.9668	3.4557		3.7222	5.0221	3.2641	5.5292
C5	2.5898	3.1318	1.2167	3.7222		1.3420	1.0961	1.8809
O6	3.9307	4.4395	2.2743	5.0221	1.3420		2.0060	0.9771
H7	2.4539	2.6470	2.0458	3.2641	1.0961	2.0060		2.8107
H8	4.3151	4.9751	2.3387	5.5292	1.8809	0.9771	2.8107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.916	H1	O3	C5	98.522
O2	H1	O3	142.983	O3	C5	O6	125.380
O3	C5	H7	124.303	C5	O6	H8	107.353
O6	C5	H7	110.316

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

using model chemistry: MP2/6-31G*

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 2)

using model chemistry: MP2/6-31G*

States and conformations

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