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	hartrees
Energy at 0K	-379.329920
Energy at 298.15K	-379.335791
HF Energy	-379.329920
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3037	2978	0.00
2	A_g	2892	2836	0.00
3	A_g	1680	1647	0.00
4	A_g	1469	1440	0.00
5	A_g	1390	1363	0.00
6	A_g	1236	1212	0.00
7	A_g	670	657	0.00
8	A_g	216	212	0.00
9	A_g	180	177	0.00
10	A_u	1079	1058	104.16
11	A_u	966	947	139.17
12	A_u	179	176	5.61
13	A_u	68	67	1.87
14	B_g	1042	1022	0.00
15	B_g	961	942	0.00
16	B_g	275	270	0.00
17	B_u	3061	3001	511.22
18	B_u	2994	2935	2274.77
19	B_u	1758	1724	664.86
20	B_u	1437	1409	0.62
21	B_u	1385	1358	45.70
22	B_u	1237	1213	289.75
23	B_u	709	695	36.85
24	B_u	291	286	68.00

Atom	x (Å)	y (Å)
C1	1.655	-0.937
C2	-1.655	0.937
O3	1.655	0.296
O4	-1.655	-0.296
O5	0.605	-1.736
O6	-0.605	1.736
H7	2.596	-1.513
H8	-2.596	1.513
H9	0.249	1.185
H10	-0.249	-1.185

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8039	1.2324	3.3722	1.3200	3.4999	1.1029	4.9063	2.5454	1.9203
C2	3.8039		3.3722	1.2324	3.4999	1.3200	4.9063	1.1029	1.9203	2.5454
O3	1.2324	3.3722		3.3632	2.2871	2.6798	2.0387	4.4219	1.6639	2.4121
O4	3.3722	1.2324	3.3632		2.6798	2.2871	4.4219	2.0387	2.4121	1.6639
O5	1.3200	3.4999	2.2871	2.6798		3.6761	2.0033	4.5604	2.9422	1.0159
O6	3.4999	1.3200	2.6798	2.2871	3.6761		4.5604	2.0033	1.0159	2.9422
H7	1.1029	4.9063	2.0387	4.4219	2.0033	4.5604		6.0089	3.5758	2.8634
H8	4.9063	1.1029	4.4219	2.0387	4.5604	2.0033	6.0089		2.8634	3.5758
H9	2.5454	1.9203	1.6639	2.4121	2.9422	1.0159	3.5758	2.8634		2.4214
H10	1.9203	2.5454	2.4121	1.6639	1.0159	2.9422	2.8634	3.5758	2.4214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	122.296	C1	O5	H10	109.908
C2	O4	H10	122.296	C2	O6	H9	109.908
O3	C1	O5	127.258	O3	C1	H7	121.511
O3	H9	O6	179.461	O4	C2	O6	127.258
O4	C2	H8	121.511	O4	H10	O5	179.461
O5	C1	H7	111.231	O6	C2	H8	111.231

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

using model chemistry: B97D3/6-31G*

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	0.358
2	C	0.358
3	O	-0.448
4	O	-0.448
5	O	-0.512
6	O	-0.512
7	H	0.157
8	H	0.157
9	H	0.444
10	H	0.444

	x	y	z
x	6.619	-0.784	0.000
y	-0.784	6.613	0.000
z	0.000	0.000	2.583

<r²>	184.634
(<r²>)^1/2	13.588

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

using model chemistry: B97D3/6-31G*

States and conformations

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