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	hartrees
Energy at 0K	-77.533347
Energy at 298.15K	-77.539365
HF Energy	-77.533347
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	131.319914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3126	3046	0.00
2	A_g	2811	2740	0.00
3	A_g	1597	1557	0.00
4	A_g	1431	1395	0.00
5	A_g	1374	1339	0.00
6	A_g	1197	1167	0.00
7	A_g	641	624	0.00
8	A_g	230	224	0.00
9	A_g	176	171	0.00
10	A_u	1144	1115	310.08
11	A_u	1002	976	70.81
12	A_u	197	192	15.97
13	A_u	97	94	1.53
14	B_g	1099	1071	0.00
15	B_g	1008	982	0.00
16	B_g	273	266	0.00
17	B_u	3126	3047	6.29
18	B_u	2948	2873	2510.58
19	B_u	1635	1593	750.19
20	B_u	1435	1398	14.01
21	B_u	1374	1339	117.90
22	B_u	1191	1161	343.15
23	B_u	670	653	37.63
24	B_u	305	297	83.41

Atom	x (Å)	y (Å)
C1	1.942	-0.215
C2	-1.942	0.215
O3	1.350	0.879
O4	-1.350	-0.879
O5	1.350	-1.426
O6	-1.350	1.426
H7	3.037	-0.296
H8	-3.037	0.296
H9	-0.354	1.406
H10	0.354	-1.406

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.9079	1.2436	3.3583	1.3483	3.6786	1.0974	5.0047	2.8107	1.9847
C2	3.9079		3.3583	1.2436	3.6786	1.3483	5.0047	1.0974	1.9847	2.8107
O3	1.2436	3.3583		3.2215	2.3049	2.7551	2.0551	4.4251	1.7839	2.4919
O4	3.3583	1.2436	3.2215		2.7551	2.3049	4.4251	2.0551	2.4919	1.7839
O5	1.3483	3.6786	2.3049	2.7551		3.9279	2.0303	4.7125	3.3054	0.9960
O6	3.6786	1.3483	2.7551	2.3049	3.9279		4.7125	2.0303	0.9960	3.3054
H7	1.0974	5.0047	2.0551	4.4251	2.0303	4.7125		6.1018	3.7938	2.9029
H8	5.0047	1.0974	4.4251	2.0551	4.7125	2.0303	6.1018		2.9029	3.7938
H9	2.8107	1.9847	1.7839	2.4919	3.3054	0.9960	3.7938	2.9029		2.8994
H10	1.9847	2.8107	2.4919	1.7839	0.9960	3.3054	2.9029	3.7938	2.8994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.619	C1	O5	H10	114.860
C2	O4	H10	135.619	C2	O6	H9	114.860
O3	C1	O5	125.525	O3	C1	H7	122.654
O3	H9	O6	163.996	O4	C2	O6	125.525
O4	C2	H8	122.654	O4	H10	O5	163.996
O5	C1	H7	111.822	O6	C2	H8	111.822

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

using model chemistry: B3LYP/CEP-121G

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	0.022
2	C	0.022
3	O	-0.260
4	O	-0.260
5	O	-0.286
6	O	-0.286
7	H	0.163
8	H	0.163
9	H	0.361
10	H	0.361

	x	y	z
x	6.895	-0.541	0.000
y	-0.541	6.517	0.000
z	0.000	0.000	2.842

<r²>	145.760
(<r²>)^1/2	12.073

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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