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	hartrees
Energy at 0K	-379.409069
Energy at 298.15K	-379.414937
HF Energy	-379.409069
Nuclear repulsion energy	235.304847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3212	3049	0.00
2	A_g	3137	2978	0.00
3	A_g	1792	1701	0.00
4	A_g	1483	1408	0.00
5	A_g	1431	1358	0.00
6	A_g	1291	1226	0.00
7	A_g	687	652	0.00
8	A_g	211	201	0.00
9	A_g	168	160	0.00
10	A_u	1103	1047	45.68
11	A_u	980	930	231.75
12	A_u	177	168	6.22
13	A_u	73	69	2.18
14	B_g	1084	1029	0.00
15	B_g	953	904	0.00
16	B_g	270	256	0.00
17	B_u	3312	3144	1987.98
18	B_u	3131	2972	343.26
19	B_u	1859	1765	765.94
20	B_u	1457	1383	0.09
21	B_u	1425	1353	70.03
22	B_u	1288	1223	328.54
23	B_u	717	680	52.71
24	B_u	279	265	59.12

Atom	x (Å)	y (Å)
C1	1.576	-1.124
C2	-1.576	1.124
O3	1.576	0.087
O4	-1.576	-0.087
O5	0.520	-1.902
O6	-0.520	1.902
H7	2.500	-1.716
H8	-2.500	1.716
H9	0.294	1.346
H10	-0.294	-1.346

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8714	1.2114	3.3181	1.3115	3.6808	1.0977	4.9681	2.7830	1.8834
C2	3.8714		3.3181	1.2114	3.6808	1.3115	4.9681	1.0977	1.8834	2.7830
O3	1.2114	3.3181		3.1568	2.2521	2.7722	2.0265	4.3896	1.7966	2.3565
O4	3.3181	1.2114	3.1568		2.7722	2.2521	4.3896	2.0265	2.3565	1.7966
O5	1.3115	3.6808	2.2521	2.7722		3.9432	1.9890	4.7129	3.2559	0.9857
O6	3.6808	1.3115	2.7722	2.2521	3.9432		4.7129	1.9890	0.9857	3.2559
H7	1.0977	4.9681	2.0265	4.3896	1.9890	4.7129		6.0651	3.7742	2.8189
H8	4.9681	1.0977	4.3896	2.0265	4.7129	1.9890	6.0651		2.8189	3.7742
H9	2.7830	1.8834	1.7966	2.3565	3.2559	0.9857	3.7742	2.8189		2.7560
H10	1.8834	2.7830	2.3565	1.7966	0.9857	3.2559	2.8189	3.7742	2.7560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.482	C1	O5	H10	109.320
C2	O4	H10	134.482	C2	O6	H9	109.320
O3	C1	O5	126.376	O3	C1	H7	122.640
O3	H9	O6	169.822	O4	C2	O6	126.376
O4	C2	H8	122.640	O4	H10	O5	169.822
O5	C1	H7	110.984	O6	C2	H8	110.984

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

using model chemistry: B1B95/6-31G*

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	0.384
2	C	0.384
3	O	-0.473
4	O	-0.473
5	O	-0.548
6	O	-0.548
7	H	0.170
8	H	0.170
9	H	0.468
10	H	0.468

	x	y	z
x	6.092	-0.667	0.000
y	-0.667	6.357	0.000
z	0.000	0.000	2.530

<r²>	185.150
(<r²>)^1/2	13.607

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

using model chemistry: B1B95/6-31G*

States and conformations

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