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	hartrees
Energy at 0K	-379.176756
Energy at 298.15K	-379.182905
HF Energy	-379.176756
Nuclear repulsion energy	238.221981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3095	2976	0.00
2	A_g	2879	2768	0.00
3	A_g	1734	1668	0.00
4	A_g	1519	1461	0.00
5	A_g	1407	1353	0.00
6	A_g	1312	1262	0.00
7	A_g	700	673	0.00
8	A_g	232	223	0.00
9	A_g	182	175	0.00
10	A_u	1136	1092	131.78
11	A_u	1035	995	89.10
12	A_u	202	194	9.34
13	A_u	82	79	1.80
14	B_g	1094	1051	0.00
15	B_g	1037	997	0.00
16	B_g	296	285	0.00
17	B_u	3109	2990	250.59
18	B_u	3024	2908	3212.85
19	B_u	1837	1767	812.25
20	B_u	1478	1421	7.92
21	B_u	1411	1357	64.40
22	B_u	1311	1260	264.81
23	B_u	744	716	38.38
24	B_u	325	312	89.83

Atom	x (Å)	y (Å)
C1	1.573	-1.119
C2	-1.573	1.119
O3	1.573	0.093
O4	-1.573	-0.093
O5	0.515	-1.896
O6	-0.515	1.896
H7	2.506	-1.718
H8	-2.506	1.718
H9	0.297	1.334
H10	-0.297	-1.334

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8603	1.2119	3.3085	1.3120	3.6669	1.1087	4.9679	2.7651	1.8818
C2	3.8603		3.3085	1.2119	3.6669	1.3120	4.9679	1.1087	1.8818	2.7651
O3	1.2119	3.3085		3.1508	2.2521	2.7583	2.0369	4.3902	1.7801	2.3518
O4	3.3085	1.2119	3.1508		2.7583	2.2521	4.3902	2.0369	2.3518	1.7801
O5	1.3120	3.6669	2.2521	2.7583		3.9285	1.9986	4.7097	3.2370	0.9871
O6	3.6669	1.3120	2.7583	2.2521	3.9285		4.7097	1.9986	0.9871	3.2370
H7	1.1087	4.9679	2.0369	4.3902	1.9986	4.7097		6.0760	3.7674	2.8287
H8	4.9679	1.1087	4.3902	2.0369	4.7097	1.9986	6.0760		2.8287	3.7674
H9	2.7651	1.8818	1.7801	2.3518	3.2370	0.9871	3.7674	2.8287		2.7335
H10	1.8818	2.7651	2.3518	1.7801	0.9871	3.2370	2.8287	3.7674	2.7335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.211	C1	O5	H10	109.049
C2	O4	H10	134.211	C2	O6	H9	109.049
O3	C1	O5	126.290	O3	C1	H7	122.682
O3	H9	O6	170.450	O4	C2	O6	126.290
O4	C2	H8	122.682	O4	H10	O5	170.450
O5	C1	H7	111.027	O6	C2	H8	111.027

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

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	C	0.248
2	C	0.248
3	O	-0.324
4	O	-0.324
5	O	-0.180
6	O	-0.180
7	H	0.057
8	H	0.057
9	H	0.199
10	H	0.199

	x	y	z
x	6.923	-0.480	0.000
y	-0.480	5.681	0.000
z	0.000	0.000	2.639

<r²>	177.621
(<r²>)^1/2	13.327

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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