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	hartrees
Energy at 0K	-379.249026
Energy at 298.15K	-379.254944
HF Energy	-379.249026
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	234.535515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2999	2968	0.00
2	A_g	2880	2850	0.00
3	A_g	1665	1648	0.00
4	A_g	1447	1432	0.00
5	A_g	1363	1349	0.00
6	A_g	1230	1217	0.00
7	A_g	670	663	0.00
8	A_g	220	218	0.00
9	A_g	176	175	0.00
10	A_u	1074	1063	145.07
11	A_u	965	955	106.89
12	A_u	186	184	5.24
13	A_u	76	75	1.64
14	B_g	1033	1022	0.00
15	B_g	965	955	0.00
16	B_g	280	277	0.00
17	B_u	3031	2999	745.13
18	B_u	2966	2935	1779.68
19	B_u	1740	1722	722.60
20	B_u	1418	1403	2.72
21	B_u	1365	1351	40.86
22	B_u	1230	1217	294.53
23	B_u	704	697	36.28
24	B_u	293	290	66.17

Atom	x (Å)	y (Å)
C1	1.641	-0.958
C2	-1.641	0.958
O3	1.641	0.272
O4	-1.641	-0.272
O5	0.590	-1.753
O6	-0.590	1.753
H7	2.584	-1.537
H8	-2.584	1.537
H9	0.264	1.204
H10	-0.264	-1.204

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8005	1.2300	3.3531	1.3176	3.5109	1.1060	4.9063	2.5636	1.9211
C2	3.8005		3.3531	1.2300	3.5109	1.3176	4.9063	1.1060	1.9211	2.5636
O3	1.2300	3.3531		3.3269	2.2812	2.6779	2.0396	4.4099	1.6629	2.4104
O4	3.3531	1.2300	3.3269		2.6779	2.2812	4.4099	2.0396	2.4104	1.6629
O5	1.3176	3.5109	2.2812	2.6779		3.6988	2.0050	4.5709	2.9751	1.0151
O6	3.5109	1.3176	2.6779	2.2812	3.6988		4.5709	2.0050	1.0151	2.9751
H7	1.1060	4.9063	2.0396	4.4099	2.0050	4.5709		6.0121	3.5908	2.8671
H8	4.9063	1.1060	4.4099	2.0396	4.5709	2.0050	6.0121		2.8671	3.5908
H9	2.5636	1.9211	1.6629	2.4104	2.9751	1.0151	3.5908	2.8671		2.4662
H10	1.9211	2.5636	2.4104	1.6629	1.0151	2.9751	2.8671	3.5908	2.4662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	124.107	C1	O5	H10	110.214
C2	O4	H10	124.107	C2	O6	H9	110.214
O3	C1	O5	127.098	O3	C1	H7	121.555
O3	H9	O6	178.581	O4	C2	O6	127.098
O4	C2	H8	121.555	O4	H10	O5	178.581
O5	C1	H7	111.348	O6	C2	H8	111.348

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

using model chemistry: PBEPBEultrafine/6-311G*

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	0.154
2	C	0.154
3	O	-0.353
4	O	-0.353
5	O	-0.401
6	O	-0.401
7	H	0.205
8	H	0.205
9	H	0.395
10	H	0.395

	x	y	z
x	6.774	-0.805	0.000
y	-0.805	6.896	0.000
z	0.000	0.000	2.854

<r²>	184.841
(<r²>)^1/2	13.596

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

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

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