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	hartrees
Energy at 0K	-379.292734
Energy at 298.15K	-379.298798
HF Energy	-379.292734
Nuclear repulsion energy	238.195564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3077	2957	0.00
2	A_g	2968	2852	0.00
3	A_g	1724	1657	0.00
4	A_g	1507	1448	0.00
5	A_g	1412	1357	0.00
6	A_g	1297	1246	0.00
7	A_g	701	674	0.00
8	A_g	224	215	0.00
9	A_g	180	173	0.00
10	A_u	1122	1078	89.03
11	A_u	1030	990	108.44
12	A_u	194	186	10.05
13	A_u	76	73	2.13
14	B_g	1091	1049	0.00
15	B_g	1017	978	0.00
16	B_g	277	266	0.00
17	B_u	3125	3003	1647.34
18	B_u	3055	2936	1442.01
19	B_u	1814	1743	804.71
20	B_u	1469	1412	3.51
21	B_u	1414	1359	58.15
22	B_u	1298	1247	299.99
23	B_u	742	713	39.10
24	B_u	307	295	85.71

Atom	x (Å)	y (Å)
C1	1.577	-1.114
C2	-1.577	1.114
O3	1.577	0.093
O4	-1.577	-0.093
O5	0.519	-1.885
O6	-0.519	1.885
H7	2.502	-1.707
H8	-2.502	1.707
H9	0.293	1.332
H10	-0.293	-1.332

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8623	1.2067	3.3160	1.3094	3.6589	1.0985	4.9599	2.7623	1.8834
C2	3.8623		3.3160	1.2067	3.6589	1.3094	4.9599	1.0985	1.8834	2.7623
O3	1.2067	3.3160		3.1601	2.2430	2.7579	2.0232	4.3874	1.7843	2.3512
O4	3.3160	1.2067	3.1601		2.7579	2.2430	4.3874	2.0232	2.3512	1.7843
O5	1.3094	3.6589	2.2430	2.7579		3.9100	1.9914	4.6933	3.2244	0.9828
O6	3.6589	1.3094	2.7579	2.2430	3.9100		4.6933	1.9914	0.9828	3.2244
H7	1.0985	4.9599	2.0232	4.3874	1.9914	4.6933		6.0579	3.7565	2.8208
H8	4.9599	1.0985	4.3874	2.0232	4.6933	1.9914	6.0579		2.8208	3.7565
H9	2.7623	1.8834	1.7843	2.3512	3.2244	0.9828	3.7565	2.8208		2.7272
H10	1.8834	2.7623	2.3512	1.7843	0.9828	3.2244	2.8208	3.7565	2.7272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	133.982	C1	O5	H10	109.681
C2	O4	H10	133.982	C2	O6	H9	109.681
O3	C1	O5	126.060	O3	C1	H7	122.651
O3	H9	O6	170.278	O4	C2	O6	126.060
O4	C2	H8	122.651	O4	H10	O5	170.278
O5	C1	H7	111.289	O6	C2	H8	111.289

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

using model chemistry: PBE1PBE/cc-pVTZ

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	0.219
2	C	0.219
3	O	-0.341
4	O	-0.341
5	O	-0.236
6	O	-0.236
7	H	0.105
8	H	0.105
9	H	0.253
10	H	0.253

	x	y	z
x	6.903	-0.681	0.000
y	-0.681	6.995	0.000
z	0.000	0.000	3.535

<r²>	178.741
(<r²>)^1/2	13.369

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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