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	hartrees
Energy at 0K	-379.142788
Energy at 298.15K	-379.148715
HF Energy	-379.142788
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	234.429246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3023	2973	0.00
2	A_g	2784	2738	0.00
3	A_g	1669	1641	0.00
4	A_g	1463	1439	0.00
5	A_g	1373	1350	0.00
6	A_g	1243	1223	0.00
7	A_g	668	656	0.00
8	A_g	223	219	0.00
9	A_g	181	178	0.00
10	A_u	1078	1061	122.50
11	A_u	963	948	106.73
12	A_u	185	182	5.39
13	A_u	75	74	1.55
14	B_g	1034	1017	0.00
15	B_g	968	952	0.00
16	B_g	283	278	0.00
17	B_u	3030	2980	23.33
18	B_u	2919	2871	2923.20
19	B_u	1754	1726	642.22
20	B_u	1426	1402	2.91
21	B_u	1373	1350	43.83
22	B_u	1243	1223	265.38
23	B_u	710	699	34.16
24	B_u	303	298	70.86

Atom	x (Å)	y (Å)
C1	1.650	-0.931
C2	-1.650	0.931
O3	1.650	0.307
O4	-1.650	-0.307
O5	0.601	-1.730
O6	-0.601	1.730
H7	2.597	-1.505
H8	-2.597	1.505
H9	0.260	1.172
H10	-0.260	-1.172

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7885	1.2372	3.3582	1.3189	3.4854	1.1073	4.8954	2.5205	1.9252
C2	3.7885		3.3582	1.2372	3.4854	1.3189	4.8954	1.1073	1.9252	2.5205
O3	1.2372	3.3582		3.3562	2.2910	2.6635	2.0438	4.4123	1.6372	2.4154
O4	3.3582	1.2372	3.3562		2.6635	2.2910	4.4123	2.0438	2.4154	1.6372
O5	1.3189	3.4854	2.2910	2.6635		3.6636	2.0083	4.5488	2.9224	1.0264
O6	3.4854	1.3189	2.6635	2.2910	3.6636		4.5488	2.0083	1.0264	2.9224
H7	1.1073	4.8954	2.0438	4.4123	2.0083	4.5488		6.0024	3.5531	2.8761
H8	4.8954	1.1073	4.4123	2.0438	4.5488	2.0083	6.0024		2.8761	3.5531
H9	2.5205	1.9252	1.6372	2.4154	2.9224	1.0264	3.5531	2.8761		2.4011
H10	1.9252	2.5205	2.4154	1.6372	1.0264	2.9224	2.8761	3.5531	2.4011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	121.914	C1	O5	H10	109.720
C2	O4	H10	121.914	C2	O6	H9	109.720
O3	C1	O5	127.326	O3	C1	H7	121.231
O3	H9	O6	178.959	O4	C2	O6	127.326
O4	C2	H8	121.231	O4	H10	O5	178.959
O5	C1	H7	111.443	O6	C2	H8	111.443

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

using model chemistry: PBEPBEultrafine/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	0.325
2	C	0.325
3	O	-0.428
4	O	-0.428
5	O	-0.490
6	O	-0.490
7	H	0.161
8	H	0.161
9	H	0.432
10	H	0.432

	x	y	z
x	6.767	-0.833	0.000
y	-0.833	6.679	0.000
z	0.000	0.000	2.590

<r²>	183.757
(<r²>)^1/2	13.556

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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