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	hartrees
Energy at 0K	-379.156822
Energy at 298.15K	-379.162863
HF Energy	-379.156822
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	236.436501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3011	2970	0.00
2	A_g	2591	2555	0.00
3	A_g	1634	1612	0.00
4	A_g	1483	1463	0.00
5	A_g	1368	1350	0.00
6	A_g	1264	1246	0.00
7	A_g	674	665	0.00
8	A_g	222	219	0.00
9	A_g	184	181	0.00
10	A_u	1119	1103	165.83
11	A_u	989	975	50.74
12	A_u	197	194	7.11
13	A_u	80	79	1.31
14	B_g	1066	1051	0.00
15	B_g	1003	989	0.00
16	B_g	290	286	0.00
17	B_u	3013	2971	9.81
18	B_u	2777	2739	3567.06
19	B_u	1745	1721	652.22
20	B_u	1442	1422	8.90
21	B_u	1373	1354	48.32
22	B_u	1264	1247	241.31
23	B_u	726	716	28.03
24	B_u	325	321	95.15

Atom	x (Å)	y (Å)
C1	1.861	-0.065
C2	-1.861	0.065
O3	1.294	1.039
O4	-1.294	-1.039
O5	1.294	-1.250
O6	-1.294	1.250
H7	2.966	-0.133
H8	-2.966	0.133
H9	-0.264	1.152
H10	0.264	-1.152

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7242	1.2409	3.3021	1.3133	3.4181	1.1074	4.8313	2.4488	1.9322
C2	3.7242		3.3021	1.2409	3.4181	1.3133	4.8313	1.1074	1.9322	2.4488
O3	1.2409	3.3021		3.3192	2.2886	2.5970	2.0421	4.3556	1.5621	2.4214
O4	3.3021	1.2409	3.3192		2.5970	2.2886	4.3556	2.0421	2.4214	1.5621
O5	1.3133	3.4181	2.2886	2.5970		3.5982	2.0104	4.4793	2.8631	1.0350
O6	3.4181	1.3133	2.5970	2.2886	3.5982		4.4793	2.0104	1.0350	2.8631
H7	1.1074	4.8313	2.0421	4.3556	2.0104	4.4793		5.9384	3.4765	2.8881
H8	4.8313	1.1074	4.3556	2.0421	4.4793	2.0104	5.9384		2.8881	3.4765
H9	2.4488	1.9322	1.5621	2.4214	2.8631	1.0350	3.4765	2.8881		2.3643
H10	1.9322	2.4488	2.4214	1.5621	1.0350	2.8631	2.8881	3.4765	2.3643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	121.341	C1	O5	H10	110.169
C2	O4	H10	121.341	C2	O6	H9	110.169
O3	C1	O5	127.256	O3	C1	H7	120.722
O3	H9	O6	178.766	O4	C2	O6	127.256
O4	C2	H8	120.722	O4	H10	O5	178.766
O5	C1	H7	112.022	O6	C2	H8	112.022

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

using model chemistry: PBEPBE/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	0.376
2	C	0.376
3	O	-0.446
4	O	-0.446
5	O	-0.421
6	O	-0.421
7	H	0.125
8	H	0.125
9	H	0.365
10	H	0.365

	x	y	z
x	7.460	-0.403	0.000
y	-0.403	6.009	0.000
z	0.000	0.000	2.627

<r²>	178.915
(<r²>)^1/2	13.376

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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