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	hartrees
Energy at 0K	-379.615782
Energy at 298.15K	-379.621742
HF Energy	-379.615782
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	235.531964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3086	2995	0.00
2	A_g	3026	2936	0.00
3	A_g	1686	1636	0.00
4	A_g	1479	1435	0.00
5	A_g	1388	1347	0.00
6	A_g	1255	1218	0.00
7	A_g	681	661	0.00
8	A_g	215	208	0.00
9	A_g	179	174	0.00
10	A_u	1106	1073	73.32
11	A_u	1001	972	114.77
12	A_u	188	182	10.55
13	A_u	78	76	2.20
14	B_g	1078	1046	0.00
15	B_g	986	957	0.00
16	B_g	266	258	0.00
17	B_u	3152	3059	1962.30
18	B_u	3073	2982	804.30
19	B_u	1761	1709	807.45
20	B_u	1449	1406	0.22
21	B_u	1388	1347	43.20
22	B_u	1259	1221	320.37
23	B_u	717	696	37.93
24	B_u	286	277	74.56

Atom	x (Å)	y (Å)
C1	1.637	-0.963
C2	-1.637	0.963
O3	1.637	0.263
O4	-1.637	-0.263
O5	0.578	-1.741
O6	-0.578	1.741
H7	2.574	-1.542
H8	-2.574	1.542
H9	0.265	1.191
H10	-0.265	-1.191

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7987	1.2256	3.3484	1.3144	3.4948	1.1016	4.9001	2.5542	1.9155
C2	3.7987		3.3484	1.2256	3.4948	1.3144	4.9001	1.1016	1.9155	2.5542
O3	1.2256	3.3484		3.3163	2.2663	2.6625	2.0338	4.4014	1.6571	2.3939
O4	3.3484	1.2256	3.3163		2.6625	2.2663	4.4014	2.0338	2.3939	1.6571
O5	1.3144	3.4948	2.2663	2.6625		3.6678	2.0063	4.5509	2.9485	1.0055
O6	3.4948	1.3144	2.6625	2.2663	3.6678		4.5509	2.0063	1.0055	2.9485
H7	1.1016	4.9001	2.0338	4.4014	2.0063	4.5509		6.0016	3.5786	2.8603
H8	4.9001	1.1016	4.4014	2.0338	4.5509	2.0063	6.0016		2.8603	3.5786
H9	2.5542	1.9155	1.6571	2.3939	2.9485	1.0055	3.5786	2.8603		2.4405
H10	1.9155	2.5542	2.3939	1.6571	1.0055	2.9485	2.8603	3.5786	2.4405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	124.076	C1	O5	H10	110.604
C2	O4	H10	124.076	C2	O6	H9	110.604
O3	C1	O5	126.277	O3	C1	H7	121.740
O3	H9	O6	179.043	O4	C2	O6	126.277
O4	C2	H8	121.740	O4	H10	O5	179.043
O5	C1	H7	111.984	O6	C2	H8	111.984

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

using model chemistry: B3LYP/aug-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	0.869
2	C	0.869
3	O	-0.419
4	O	-0.419
5	O	-0.221
6	O	-0.221
7	H	-0.426
8	H	-0.426
9	H	0.197
10	H	0.197

	x	y	z
x	7.713	-0.541	0.000
y	-0.541	7.955	0.000
z	0.000	0.000	4.419

<r²>	183.563
(<r²>)^1/2	13.549

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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