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	hartrees
Energy at 0K	-379.203511
Energy at 298.15K	-379.209384
HF Energy	-378.873327
Nuclear repulsion energy	233.959829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3200	3035	0.00
2	A_g	3154	2991	0.00
3	A_g	1750	1659	0.00
4	A_g	1492	1415	0.00
5	A_g	1433	1359	0.00
6	A_g	1268	1202	0.00
7	A_g	682	647	0.00
8	A_g	214	203	0.00
9	A_g	174	165	0.00
10	A_u	1105	1048	54.41
11	A_u	975	924	226.53
12	A_u	178	169	6.27
13	A_u	74	70	1.98
14	B_g	1083	1027	0.00
15	B_g	950	901	0.00
16	B_g	272	258	0.00
17	B_u	3300	3130	1868.46
18	B_u	3148	2985	354.18
19	B_u	1810	1717	690.10
20	B_u	1465	1390	0.33
21	B_u	1422	1348	50.94
22	B_u	1268	1203	334.10
23	B_u	710	673	49.28
24	B_u	278	263	55.85

Atom	x (Å)	y (Å)
C1	1.585	-1.117
C2	-1.585	1.117
O3	1.585	0.101
O4	-1.585	-0.101
O5	0.525	-1.904
O6	-0.525	1.904
H7	2.510	-1.708
H8	-2.510	1.708
H9	0.296	1.354
H10	-0.296	-1.354

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8786	1.2182	3.3291	1.3197	3.6851	1.0976	4.9753	2.7873	1.8964
C2	3.8786		3.3291	1.2182	3.6851	1.3197	4.9753	1.0976	1.8964	2.7873
O3	1.2182	3.3291		3.1766	2.2675	2.7756	2.0319	4.3992	1.7976	2.3785
O4	3.3291	1.2182	3.1766		2.7756	2.2675	4.3992	2.0319	2.3785	1.7976
O5	1.3197	3.6851	2.2675	2.7756		3.9497	1.9942	4.7180	3.2659	0.9885
O6	3.6851	1.3197	2.7756	2.2675	3.9497		4.7180	1.9942	0.9885	3.2659
H7	1.0976	4.9753	2.0319	4.3992	1.9942	4.7180		6.0723	3.7787	2.8286
H8	4.9753	1.0976	4.3992	2.0319	4.7180	1.9942	6.0723		2.8286	3.7787
H9	2.7873	1.8964	1.7976	2.3785	3.2659	0.9885	3.7787	2.8286		2.7725
H10	1.8964	2.7873	2.3785	1.7976	0.9885	3.2659	2.8286	3.7787	2.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.203	C1	O5	H10	109.650
C2	O4	H10	134.203	C2	O6	H9	109.650
O3	C1	O5	126.577	O3	C1	H7	122.583
O3	H9	O6	169.571	O4	C2	O6	126.577
O4	C2	H8	122.583	O4	H10	O5	169.571
O5	C1	H7	110.840	O6	C2	H8	110.840

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C2H4O4 (Formic acid dimer)

using model chemistry: B2PLYP=FULL/6-31G*

States and conformations

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