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	hartrees
Energy at 0K	-379.030363
Energy at 298.15K	-379.036475
HF Energy	-379.030363
Nuclear repulsion energy	235.575494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3206	3067	0.00
2	A_g	2790	2669	0.00
3	A_g	1662	1590	0.00
4	A_g	1488	1424	0.00
5	A_g	1415	1354	0.00
6	A_g	1263	1208	0.00
7	A_g	675	645	0.00
8	A_g	246	235	0.00
9	A_g	181	173	0.00
10	A_u	1151	1101	287.60
11	A_u	1029	984	146.94
12	A_u	198	190	12.41
13	A_u	93	89	1.62
14	B_g	1101	1054	0.00
15	B_g	1034	989	0.00
16	B_g	283	271	0.00
17	B_u	3206	3067	12.06
18	B_u	2953	2825	2791.47
19	B_u	1723	1648	671.50
20	B_u	1468	1404	62.01
21	B_u	1421	1360	105.95
22	B_u	1256	1201	321.60
23	B_u	710	679	36.99
24	B_u	327	313	82.35

Atom	x (Å)	y (Å)
C1	1.599	-1.096
C2	-1.599	1.096
O3	1.599	0.136
O4	-1.599	-0.136
O5	0.520	-1.878
O6	-0.520	1.878
H7	2.519	-1.685
H8	-2.519	1.685
H9	0.348	1.394
H10	-0.348	-1.394

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8769	1.2315	3.3389	1.3329	3.6514	1.0927	4.9692	2.7867	1.9697
C2	3.8769		3.3389	1.2315	3.6514	1.3329	4.9692	1.0927	1.9697	2.7867
O3	1.2315	3.3389		3.2092	2.2846	2.7431	2.0398	4.4000	1.7745	2.4761
O4	3.3389	1.2315	3.2092		2.7431	2.2846	4.4000	2.0398	2.4761	1.7745
O5	1.3329	3.6514	2.2846	2.7431		3.8973	2.0091	4.6829	3.2769	0.9935
O6	3.6514	1.3329	2.7431	2.2846	3.8973		4.6829	2.0091	0.9935	3.2769
H7	1.0927	4.9692	2.0398	4.4000	2.0091	4.6829		6.0616	3.7676	2.8822
H8	4.9692	1.0927	4.4000	2.0398	4.6829	2.0091	6.0616		2.8822	3.7676
H9	2.7867	1.9697	1.7745	2.4761	3.2769	0.9935	3.7676	2.8822		2.8742
H10	1.9697	2.7867	2.4761	1.7745	0.9935	3.2769	2.8822	3.7676	2.8742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.184	C1	O5	H10	114.928
C2	O4	H10	135.184	C2	O6	H9	114.928
O3	C1	O5	125.929	O3	C1	H7	122.605
O3	H9	O6	163.960	O4	C2	O6	125.929
O4	C2	H8	122.605	O4	H10	O5	163.960
O5	C1	H7	111.466	O6	C2	H8	111.466

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	0.390
2	C	0.390
3	O	-0.495
4	O	-0.495
5	O	-0.551
6	O	-0.551
7	H	0.206
8	H	0.206
9	H	0.450
10	H	0.450

	x	y	z
x	6.311	-0.487	0.000
y	-0.487	5.895	0.000
z	0.000	0.000	2.081

<r²>	180.804
(<r²>)^1/2	13.446

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)