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	hartrees
Energy at 0K	-374.319505
Energy at 298.15K	-374.326090
HF Energy	-374.319505
Nuclear repulsion energy	239.146988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3308	3308	0.00
2	A_g	2215	2215	0.00
3	A_g	1852	1852	0.00
4	A_g	1455	1455	0.00
5	A_g	1395	1395	0.00
6	A_g	1008	1008	0.00
7	A_g	732	732	0.00
8	A_g	550	550	0.00
9	A_g	244	244	0.00
10	A_u	1480	1480	196.04
11	A_u	970	970	9.86
12	A_u	241	241	5.77
13	A_u	90	90	0.00
14	B_g	1476	1476	0.00
15	B_g	994	994	0.00
16	B_g	330	330	0.00
17	B_u	3306	3306	0.09
18	B_u	2816	2816	6558.67
19	B_u	1839	1839	198.35
20	B_u	1788	1788	109.04
21	B_u	1451	1451	55.13
22	B_u	1366	1366	80.13
23	B_u	779	779	5.55
24	B_u	666	666	1.12

Atom	x (Å)	y (Å)
C1	-0.000	-1.765
C2	0.000	1.765
O3	1.179	-1.195
O4	-1.179	1.195
O5	-1.179	-1.194
O6	1.179	1.194
H7	-0.001	-2.885
H8	0.001	2.885
H9	1.129	-0.000
H10	-1.129	0.000

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.5291	1.3091	3.1859	1.3091	3.1850	1.1205	4.6496	2.0946	2.0950
C2	3.5291		3.1859	1.3091	3.1850	1.3091	4.6496	1.1205	2.0950	2.0946
O3	1.3091	3.1859		3.3575	2.3573	2.3897	2.0606	4.2470	1.1961	2.5991
O4	3.1859	1.3091	3.3575		2.3897	2.3573	4.2470	2.0606	2.5991	1.1961
O5	1.3091	3.1850	2.3573	2.3897		3.3558	2.0606	4.2464	2.5982	1.1957
O6	3.1850	1.3091	2.3897	2.3573	3.3558		4.2464	2.0606	1.1957	2.5982
H7	1.1205	4.6496	2.0606	4.2470	2.0606	4.2464		5.7701	3.0980	3.0981
H8	4.6496	1.1205	4.2470	2.0606	4.2464	2.0606	5.7701		3.0981	3.0980
H9	2.0946	2.0950	1.1961	2.5991	2.5982	1.1957	3.0980	3.0981		2.2580
H10	2.0950	2.0946	2.5991	1.1961	1.1957	2.5982	3.0981	3.0980	2.2580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	113.389	C1	O5	H10	113.446
C2	O4	H10	113.389	C2	O6	H9	113.446
O3	C1	O5	128.405	O3	C1	H7	115.800
O3	H9	O6	175.240	O4	C2	O6	128.405
O4	C2	H8	115.800	O4	H10	O5	175.240
O5	C1	H7	115.795	O6	C2	H8	115.795

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

using model chemistry: wB97X-D/STO-3G

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	0.170
2	C	0.170
3	O	-0.249
4	O	-0.249
5	O	-0.249
6	O	-0.249
7	H	0.089
8	H	0.089
9	H	0.239
10	H	0.239

<r²>	166.437
(<r²>)^1/2	12.901

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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