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	hartrees
Energy at 0K	-378.996209
Energy at 298.15K	-379.002317
HF Energy	-378.996209
Nuclear repulsion energy	235.610845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3208	3066	0.00
2	A_g	2792	2669	0.00
3	A_g	1664	1591	0.00
4	A_g	1490	1424	0.00
5	A_g	1416	1353	0.00
6	A_g	1265	1209	0.00
7	A_g	675	645	0.00
8	A_g	243	232	0.00
9	A_g	181	173	0.00
10	A_u	1153	1102	293.46
11	A_u	1030	984	144.23
12	A_u	198	189	12.55
13	A_u	94	90	1.65
14	B_g	1102	1053	0.00
15	B_g	1035	989	0.00
16	B_g	284	271	0.00
17	B_u	3208	3066	10.97
18	B_u	2956	2825	2806.45
19	B_u	1725	1649	673.73
20	B_u	1469	1404	63.92
21	B_u	1422	1359	104.47
22	B_u	1258	1202	322.69
23	B_u	711	680	37.44
24	B_u	325	311	83.68

Atom	x (Å)	y (Å)
C1	1.599	-1.097
C2	-1.599	1.097
O3	1.599	0.135
O4	-1.599	-0.135
O5	0.520	-1.879
O6	-0.520	1.879
H7	2.520	-1.686
H8	-2.520	1.686
H9	0.348	1.395
H10	-0.348	-1.395

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8782	1.2316	3.3399	1.3330	3.6526	1.0928	4.9706	2.7880	1.9699
C2	3.8782		3.3399	1.2316	3.6526	1.3330	4.9706	1.0928	1.9699	2.7880
O3	1.2316	3.3399		3.2099	2.2846	2.7441	2.0401	4.4012	1.7757	2.4762
O4	3.3399	1.2316	3.2099		2.7441	2.2846	4.4012	2.0401	2.4762	1.7757
O5	1.3330	3.6526	2.2846	2.7441		3.8981	2.0093	4.6841	3.2778	0.9933
O6	3.6526	1.3330	2.7441	2.2846	3.8981		4.6841	2.0093	0.9933	3.2778
H7	1.0928	4.9706	2.0401	4.4012	2.0093	4.6841		6.0632	3.7691	2.8824
H8	4.9706	1.0928	4.4012	2.0401	4.6841	2.0093	6.0632		2.8824	3.7691
H9	2.7880	1.9699	1.7757	2.4762	3.2778	0.9933	3.7691	2.8824		2.8751
H10	1.9699	2.7880	2.4762	1.7757	0.9933	3.2778	2.8824	3.7691	2.8751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.193	C1	O5	H10	114.944
C2	O4	H10	135.193	C2	O6	H9	114.944
O3	C1	O5	125.915	O3	C1	H7	122.613
O3	H9	O6	163.947	O4	C2	O6	125.915
O4	C2	H8	122.613	O4	H10	O5	163.947
O5	C1	H7	111.472	O6	C2	H8	111.472

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

using model chemistry: PBE1PBE/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	0.393
2	C	0.393
3	O	-0.500
4	O	-0.500
5	O	-0.556
6	O	-0.556
7	H	0.209
8	H	0.209
9	H	0.454
10	H	0.454

	x	y	z
x	6.288	-0.486	0.000
y	-0.486	5.892	0.000
z	0.000	0.000	2.081

<r²>	180.731
(<r²>)^1/2	13.444

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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