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	hartrees
Energy at 0K	-379.305655
Energy at 298.15K	-379.311569
HF Energy	-378.944789
Nuclear repulsion energy	234.940418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3128	3009	0.00
2	A_g	3102	2984	0.00
3	A_g	1683	1619	0.00
4	A_g	1479	1423	0.00
5	A_g	1392	1339	0.00
6	A_g	1246	1199	0.00
7	A_g	676	650	0.00
8	A_g	212	204	0.00
9	A_g	175	168	0.00
10	A_u	1106	1064	68.02
11	A_u	992	954	120.63
12	A_u	182	175	10.12
13	A_u	75	72	2.21
14	B_g	1079	1038	0.00
15	B_g	974	937	0.00
16	B_g	262	252	0.00
17	B_u	3218	3095	2087.95
18	B_u	3118	2999	502.97
19	B_u	1750	1683	767.13
20	B_u	1452	1396	1.33
21	B_u	1390	1337	35.98
22	B_u	1251	1203	322.19
23	B_u	710	682	39.21
24	B_u	280	270	69.21

Atom	x (Å)	y (Å)
C1	1.585	-1.121
C2	-1.585	1.121
O3	1.585	0.098
O4	-1.585	-0.098
O5	0.516	-1.899
O6	-0.516	1.899
H7	2.513	-1.716
H8	-2.513	1.716
H9	0.301	1.348
H10	-0.301	-1.348

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8832	1.2185	3.3317	1.3220	3.6790	1.1025	4.9848	2.7830	1.8999
C2	3.8832		3.3317	1.2185	3.6790	1.3220	4.9848	1.1025	1.8999	2.7830
O3	1.2185	3.3317		3.1767	2.2645	2.7679	2.0375	4.4067	1.7926	2.3765
O4	3.3317	1.2185	3.1767		2.7679	2.2645	4.4067	2.0375	2.3765	1.7926
O5	1.3220	3.6790	2.2645	2.7679		3.9353	2.0052	4.7167	3.2538	0.9855
O6	3.6790	1.3220	2.7679	2.2645	3.9353		4.7167	2.0052	0.9855	3.2538
H7	1.1025	4.9848	2.0375	4.4067	2.0052	4.7167		6.0868	3.7795	2.8382
H8	4.9848	1.1025	4.4067	2.0375	4.7167	2.0052	6.0868		2.8382	3.7795
H9	2.7830	1.8999	1.7926	2.3765	3.2538	0.9855	3.7795	2.8382		2.7623
H10	1.8999	2.7830	2.3765	1.7926	0.9855	3.2538	2.8382	3.7795	2.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.232	C1	O5	H10	109.986
C2	O4	H10	134.232	C2	O6	H9	109.986
O3	C1	O5	126.039	O3	C1	H7	122.687
O3	H9	O6	169.743	O4	C2	O6	126.039
O4	C2	H8	122.687	O4	H10	O5	169.743
O5	C1	H7	111.274	O6	C2	H8	111.274

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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