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	hartrees
Energy at 0K	-379.303578
Energy at 298.15K	-379.309606
HF Energy	-379.303578
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	236.523854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2977	2956	0.00
2	A_g	2648	2630	0.00
3	A_g	1617	1606	0.00
4	A_g	1466	1456	0.00
5	A_g	1352	1343	0.00
6	A_g	1241	1233	0.00
7	A_g	675	670	0.00
8	A_g	227	225	0.00
9	A_g	181	180	0.00
10	A_u	1104	1097	134.92
11	A_u	991	984	36.24
12	A_u	195	193	8.43
13	A_u	75	75	1.58
14	B_g	1056	1049	0.00
15	B_g	1000	993	0.00
16	B_g	277	275	0.00
17	B_u	2981	2961	1.56
18	B_u	2810	2790	3449.26
19	B_u	1718	1706	695.14
20	B_u	1433	1423	2.11
21	B_u	1357	1348	39.83
22	B_u	1243	1235	256.22
23	B_u	722	717	27.46
24	B_u	319	317	91.67

Atom	x (Å)	y (Å)
C1	-1.820	0.012
C2	1.820	-0.012
O3	-1.252	1.124
O4	1.252	-1.124
O5	-1.252	-1.150
O6	1.252	1.150
H7	-2.922	-0.032
H8	2.922	0.032
H9	0.182	1.108
H10	-0.182	-1.108

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.6394	1.2490	3.2745	1.2930	3.2755	1.1032	4.7416	2.2820	1.9836
C2	3.6394		3.2745	1.2490	3.2755	1.2930	4.7416	1.1032	1.9836	2.2820
O3	1.2490	3.2745		3.3644	2.2739	2.5035	2.0313	4.3140	1.4337	2.4746
O4	3.2745	1.2490	3.3644		2.5035	2.2739	4.3140	2.0313	2.4746	1.4337
O5	1.2930	3.2755	2.2739	2.5035		3.3995	2.0098	4.3378	2.6742	1.0706
O6	3.2755	1.2930	2.5035	2.2739	3.3995		4.3378	2.0098	1.0706	2.6742
H7	1.1032	4.7416	2.0313	4.3140	2.0098	4.3378		5.8442	3.3064	2.9435
H8	4.7416	1.1032	4.3140	2.0313	4.3378	2.0098	5.8442		2.9435	3.3064
H9	2.2820	1.9836	1.4337	2.4746	2.6742	1.0706	3.3064	2.9435		2.2447
H10	1.9836	2.2820	2.4746	1.4337	1.0706	2.6742	2.9435	3.3064	2.2447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	116.394	C1	O5	H10	113.785
C2	O4	H10	116.394	C2	O6	H9	113.785
O3	C1	O5	126.894	O3	C1	H7	119.316
O3	H9	O6	177.073	O4	C2	O6	126.894
O4	C2	H8	119.316	O4	H10	O5	177.073
O5	C1	H7	113.790	O6	C2	H8	113.790

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

using model chemistry: PBEPBEultrafine/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	0.194
2	C	0.194
3	O	-0.306
4	O	-0.306
5	O	-0.217
6	O	-0.217
7	H	0.091
8	H	0.091
9	H	0.238
10	H	0.238

	x	y	z
x	8.192	0.411	0.000
y	0.411	6.751	0.000
z	0.000	0.000	3.644

<r²>	179.940
(<r²>)^1/2	13.414

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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