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	hartrees
Energy at 0K	-379.135665
Energy at 298.15K	-379.141650
HF Energy	-379.135665
Nuclear repulsion energy	236.178336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3135	2988	0.00
2	A_g	3098	2953	0.00
3	A_g	1775	1692	0.00
4	A_g	1504	1433	0.00
5	A_g	1431	1364	0.00
6	A_g	1302	1241	0.00
7	A_g	694	661	0.00
8	A_g	223	212	0.00
9	A_g	179	171	0.00
10	A_u	1112	1060	69.45
11	A_u	999	952	202.55
12	A_u	184	176	7.20
13	A_u	75	72	2.09
14	B_g	1086	1035	0.00
15	B_g	979	933	0.00
16	B_g	279	266	0.00
17	B_u	3224	3073	1973.31
18	B_u	3122	2976	681.56
19	B_u	1851	1764	766.03
20	B_u	1465	1397	2.29
21	B_u	1429	1362	64.69
22	B_u	1299	1238	316.04
23	B_u	728	694	48.65
24	B_u	296	282	66.88

Atom	x (Å)	y (Å)
C1	1.578	-1.115
C2	-1.578	1.115
O3	1.578	0.098
O4	-1.578	-0.098
O5	0.523	-1.896
O6	-0.523	1.896
H7	2.506	-1.707
H8	-2.506	1.707
H9	0.295	1.344
H10	-0.295	-1.344

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8649	1.2129	3.3165	1.3130	3.6721	1.1002	4.9642	2.7734	1.8870
C2	3.8649		3.3165	1.2129	3.6721	1.3130	4.9642	1.1002	1.8870	2.7734
O3	1.2129	3.3165		3.1628	2.2561	2.7660	2.0294	4.3896	1.7886	2.3636
O4	3.3165	1.2129	3.1628		2.7660	2.2561	4.3896	2.0294	2.3636	1.7886
O5	1.3130	3.6721	2.2561	2.7660		3.9342	1.9914	4.7073	3.2478	0.9872
O6	3.6721	1.3130	2.7660	2.2561	3.9342		4.7073	1.9914	0.9872	3.2478
H7	1.1002	4.9642	2.0294	4.3896	1.9914	4.7073		6.0639	3.7676	2.8238
H8	4.9642	1.1002	4.3896	2.0294	4.7073	1.9914	6.0639		2.8238	3.7676
H9	2.7734	1.8870	1.7886	2.3636	3.2478	0.9872	3.7676	2.8238		2.7510
H10	1.8870	2.7734	2.3636	1.7886	0.9872	3.2478	2.8238	3.7676	2.7510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.139	C1	O5	H10	109.433
C2	O4	H10	134.139	C2	O6	H9	109.433
O3	C1	O5	126.517	O3	C1	H7	122.572
O3	H9	O6	169.910	O4	C2	O6	126.517
O4	C2	H8	122.572	O4	H10	O5	169.910
O5	C1	H7	110.911	O6	C2	H8	110.911

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	0.377
2	C	0.377
3	O	-0.479
4	O	-0.479
5	O	-0.548
6	O	-0.548
7	H	0.179
8	H	0.179
9	H	0.471
10	H	0.471

	x	y	z
x	6.170	-0.683	0.000
y	-0.683	6.355	0.000
z	0.000	0.000	2.540

<r²>	182.545
(<r²>)^1/2	13.511

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)