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	hartrees
Energy at 0K	-264.773416
Energy at 298.15K	-264.777807
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	116.640944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
2	A'	3859	3713
3	A'	3733	3591
4	A'	3662	3523
5	A'	3161	3041
6	A'	1839	1769
7	A'	1734	1669
8	A'	1434	1380
9	A'	1322	1272
10	A'	1136	1093
11	A'	624	601
12	A'	286	275
13	A'	142	137
14	A'	105	101
15	A"	1058	1018
16	A"	682	657
17	A"	298	287
18	A"	62	60

Atom	x (Å)	y (Å)
H1	0.151	-1.980
O2	1.120	-2.061
O3	-0.996	-0.086
H4	1.293	-3.016
H5	-1.838	0.417
C6	0.000	0.846
O7	-0.197	2.042
H8	0.976	0.345

	H1	O2	O3	H4	H5	C6	O7	H8
H1		0.9720	2.2141	1.5416	3.1146	2.8300	4.0367	2.4662
O2	0.9720		2.8940	0.9706	3.8584	3.1153	4.3089	2.4097
O3	2.2141	2.8940		3.7177	0.9808	1.3639	2.2727	2.0177
H4	1.5416	0.9706	3.7177		4.6460	4.0727	5.2726	3.3754
H5	3.1146	3.8584	0.9808	4.6460		1.8871	2.3089	2.8142
C6	2.8300	3.1153	1.3639	4.0727	1.8871		1.2118	1.0970
O7	4.0367	4.3089	2.2727	5.2726	2.3089	1.2118		2.0630
H8	2.4662	2.4097	2.0177	3.3754	2.8142	1.0970	2.0630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.048	H1	O3	H5	152.056
H1	O3	C6	101.913	O2	H1	O3	125.982
O3	C6	O7	123.748	O3	C6	H8	109.675
H5	O3	C6	106.031	O7	C6	H8	126.577

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

using model chemistry: CCSD(T)/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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Number	Element	Mulliken
1	H	0.461
2	O	-0.899
3	O	-0.712
4	H	0.437
5	H	0.469
6	C	0.536
7	O	-0.531
8	H	0.237

	x	y	z	Total
	-1.596	-3.150	0.000	3.531
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: CCSD(T)/6-31G*

States and conformations

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