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	hartrees
Energy at 0K	-379.209107
Energy at 298.15K	-379.215257
HF Energy	-379.209107
Nuclear repulsion energy	238.126551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3093	2975	0.00
2	A_g	2889	2779	0.00
3	A_g	1733	1667	0.00
4	A_g	1520	1462	0.00
5	A_g	1406	1353	0.00
6	A_g	1310	1260	0.00
7	A_g	700	673	0.00
8	A_g	237	228	0.00
9	A_g	183	177	0.00
10	A_u	1134	1091	128.04
11	A_u	1034	994	91.65
12	A_u	200	193	9.17
13	A_u	81	78	1.86
14	B_g	1092	1050	0.00
15	B_g	1035	995	0.00
16	B_g	295	284	0.00
17	B_u	3109	2991	330.19
18	B_u	3029	2913	3096.57
19	B_u	1834	1764	808.40
20	B_u	1477	1421	7.95
21	B_u	1411	1357	62.24
22	B_u	1309	1259	267.26
23	B_u	743	714	38.40
24	B_u	327	314	87.26

Atom	x (Å)	y (Å)
C1	1.572	-1.118
C2	-1.572	1.118
O3	1.572	0.094
O4	-1.572	-0.094
O5	0.515	-1.895
O6	-0.515	1.895
H7	2.505	-1.717
H8	-2.505	1.717
H9	0.298	1.334
H10	-0.298	-1.334

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8586	1.2119	3.3072	1.3121	3.6650	1.1086	4.9662	2.7632	1.8822
C2	3.8586		3.3072	1.2119	3.6650	1.3121	4.9662	1.1086	1.8822	2.7632
O3	1.2119	3.3072		3.1502	2.2523	2.7566	2.0368	4.3888	1.7782	2.3524
O4	3.3072	1.2119	3.1502		2.7566	2.2523	4.3888	2.0368	2.3524	1.7782
O5	1.3121	3.6650	2.2523	2.7566		3.9267	1.9987	4.7077	3.2355	0.9872
O6	3.6650	1.3121	2.7566	2.2523	3.9267		4.7077	1.9987	0.9872	3.2355
H7	1.1086	4.9662	2.0368	4.3888	1.9987	4.7077		6.0742	3.7654	2.8290
H8	4.9662	1.1086	4.3888	2.0368	4.7077	1.9987	6.0742		2.8290	3.7654
H9	2.7632	1.8822	1.7782	2.3524	3.2355	0.9872	3.7654	2.8290		2.7327
H10	1.8822	2.7632	2.3524	1.7782	0.9872	3.2355	2.8290	3.7654	2.7327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.200	C1	O5	H10	109.071
C2	O4	H10	134.200	C2	O6	H9	109.071
O3	C1	O5	126.292	O3	C1	H7	122.678
O3	H9	O6	170.437	O4	C2	O6	126.292
O4	C2	H8	122.678	O4	H10	O5	170.437
O5	C1	H7	111.030	O6	C2	H8	111.030

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.244
2	C	0.244
3	O	-0.320
4	O	-0.320
5	O	-0.176
6	O	-0.176
7	H	0.056
8	H	0.056
9	H	0.197
10	H	0.197

	x	y	z
x	6.280	-0.791	0.000
y	-0.791	6.352	0.000
z	0.000	0.000	2.639

<r²>	177.821
(<r²>)^1/2	13.335

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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