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	hartrees
Energy at 0K	-379.183766
Energy at 298.15K	-379.189822
HF Energy	-379.183766
Nuclear repulsion energy	237.814521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3115	2972	0.00
2	A_g	2971	2835	0.00
3	A_g	1751	1671	0.00
4	A_g	1520	1451	0.00
5	A_g	1427	1361	0.00
6	A_g	1315	1255	0.00
7	A_g	699	667	0.00
8	A_g	221	210	0.00
9	A_g	183	175	0.00
10	A_u	1131	1079	115.76
11	A_u	1030	983	141.14
12	A_u	194	185	8.92
13	A_u	78	75	1.91
14	B_g	1093	1043	0.00
15	B_g	1022	976	0.00
16	B_g	286	273	0.00
17	B_u	3146	3002	1053.93
18	B_u	3083	2942	2061.90
19	B_u	1840	1756	771.18
20	B_u	1473	1406	8.92
21	B_u	1428	1363	66.12
22	B_u	1313	1253	298.98
23	B_u	741	707	42.31
24	B_u	307	293	84.56

Atom	x (Å)	y (Å)
C1	1.576	-1.113
C2	-1.576	1.113
O3	1.576	0.100
O4	-1.576	-0.100
O5	0.520	-1.892
O6	-0.520	1.892
H7	2.503	-1.705
H8	-2.503	1.705
H9	0.296	1.340
H10	-0.296	-1.340

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8586	1.2130	3.3105	1.3123	3.6634	1.1006	4.9582	2.7671	1.8855
C2	3.8586		3.3105	1.2130	3.6634	1.3123	4.9582	1.1006	1.8855	2.7671
O3	1.2130	3.3105		3.1581	2.2545	2.7572	2.0297	4.3838	1.7824	2.3617
O4	3.3105	1.2130	3.1581		2.7572	2.2545	4.3838	2.0297	2.3617	1.7824
O5	1.3123	3.6634	2.2545	2.7572		3.9238	1.9924	4.6988	3.2398	0.9845
O6	3.6634	1.3123	2.7572	2.2545	3.9238		4.6988	1.9924	0.9845	3.2398
H7	1.1006	4.9582	2.0297	4.3838	1.9924	4.6988		6.0582	3.7616	2.8229
H8	4.9582	1.1006	4.3838	2.0297	4.6988	1.9924	6.0582		2.8229	3.7616
H9	2.7671	1.8855	1.7824	2.3617	3.2398	0.9845	3.7616	2.8229		2.7451
H10	1.8855	2.7671	2.3617	1.7824	0.9845	3.2398	2.8229	3.7616	2.7451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.098	C1	O5	H10	109.525
C2	O4	H10	134.098	C2	O6	H9	109.525
O3	C1	O5	126.404	O3	C1	H7	122.568
O3	H9	O6	169.973	O4	C2	O6	126.404
O4	C2	H8	122.568	O4	H10	O5	169.973
O5	C1	H7	111.028	O6	C2	H8	111.028

All results from a given calculation for C₂H₄O₄ (Formic acid dimer)

using model chemistry: HSEh1PBE/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	C	0.433
2	C	0.433
3	O	-0.494
4	O	-0.494
5	O	-0.467
6	O	-0.467
7	H	0.139
8	H	0.139
9	H	0.389
10	H	0.389

	x	y	z
x	6.250	-0.693	0.000
y	-0.693	6.349	0.000
z	0.000	0.000	2.576

<r²>	178.586
(<r²>)^1/2	13.364

All results from a given calculation for C2H4O4 (Formic acid dimer)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for C₂H₄O₄ (Formic acid dimer)