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	hartrees
Energy at 0K	-379.650840
Energy at 298.15K	-379.656687
HF Energy	-379.650840
Nuclear repulsion energy	233.862057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2979	2968	0.00
2	A_g	2846	2836	0.00
3	A_g	1607	1601	0.00
4	A_g	1436	1431	0.00
5	A_g	1356	1351	0.00
6	A_g	1192	1188	0.00
7	A_g	662	660	0.00
8	A_g	207	206	0.00
9	A_g	175	175	0.00
10	A_u	1066	1062	89.64
11	A_u	966	963	78.76
12	A_u	183	182	8.64
13	A_u	75	74	2.04
14	B_g	1033	1030	0.00
15	B_g	959	956	0.00
16	B_g	257	256	0.00
17	B_u	3000	2990	639.47
18	B_u	2942	2932	2173.71
19	B_u	1680	1674	725.82
20	B_u	1412	1407	1.46
21	B_u	1355	1350	33.73
22	B_u	1198	1194	307.15
23	B_u	699	696	28.71
24	B_u	279	278	74.54

Atom	x (Å)	y (Å)
C1	1.666	-0.975
C2	-1.666	0.975
O3	1.666	0.252
O4	-1.666	-0.252
O5	0.590	-1.769
O6	-0.590	1.769
H7	2.594	-1.567
H8	-2.594	1.567
H9	0.253	1.211
H10	-0.253	-1.211

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8602	1.2274	3.4090	1.3375	3.5522	1.1007	4.9603	2.6028	1.9335
C2	3.8602		3.4090	1.2274	3.5522	1.3375	4.9603	1.1007	1.9335	2.6028
O3	1.2274	3.4090		3.3696	2.2903	2.7181	2.0425	4.4577	1.7072	2.4134
O4	3.4090	1.2274	3.3696		2.7181	2.2903	4.4577	2.0425	2.4134	1.7072
O5	1.3375	3.5522	2.2903	2.7181		3.7299	2.0142	4.6114	2.9994	1.0109
O6	3.5522	1.3375	2.7181	2.2903	3.7299		4.6114	2.0142	1.0109	2.9994
H7	1.1007	4.9603	2.0425	4.4577	2.0142	4.6114		6.0607	3.6327	2.8690
H8	4.9603	1.1007	4.4577	2.0425	4.6114	2.0142	6.0607		2.8690	3.6327
H9	2.6028	1.9335	1.7072	2.4134	2.9994	1.0109	3.6327	2.8690		2.4747
H10	1.9335	2.6028	2.4134	1.7072	1.0109	2.9994	2.8690	3.6327	2.4747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	124.165	C1	O5	H10	110.055
C2	O4	H10	124.165	C2	O6	H9	110.055
O3	C1	O5	126.434	O3	C1	H7	122.543
O3	H9	O6	179.347	O4	C2	O6	126.434
O4	C2	H8	122.543	O4	H10	O5	179.347
O5	C1	H7	111.024	O6	C2	H8	111.024

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

using model chemistry: BLYP/aug-cc-pVTZ

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	-0.013
2	C	-0.013
3	O	-0.481
4	O	-0.481
5	O	-0.293
6	O	-0.293
7	H	0.481
8	H	0.481
9	H	0.306
10	H	0.306

	x	y	z
x	8.325	-0.592	0.000
y	-0.592	8.450	0.000
z	0.000	0.000	4.687

<r²>	186.117
(<r²>)^1/2	13.642

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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