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	hartrees
Energy at 0K	-379.652200
Energy at 298.15K	-379.658086
HF Energy	-379.652200
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	234.668502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3208	3100	0.00
2	A_g	3080	2976	0.00
3	A_g	1734	1676	0.00
4	A_g	1473	1424	0.00
5	A_g	1411	1363	0.00
6	A_g	1256	1213	0.00
7	A_g	687	664	0.00
8	A_g	211	204	0.00
9	A_g	173	167	0.00
10	A_u	1092	1056	65.47
11	A_u	976	944	225.77
12	A_u	181	174	6.14
13	A_u	77	74	2.03
14	B_g	1073	1037	0.00
15	B_g	950	918	0.00
16	B_g	270	261	0.00
17	B_u	3296	3185	1729.79
18	B_u	3074	2971	298.66
19	B_u	1797	1736	810.23
20	B_u	1448	1399	0.04
21	B_u	1406	1359	50.40
22	B_u	1257	1214	363.64
23	B_u	711	687	49.38
24	B_u	272	263	56.47

Atom	x (Å)	y (Å)
C1	1.638	-0.997
C2	-1.638	0.997
O3	1.638	0.220
O4	-1.638	-0.220
O5	0.584	-1.780
O6	-0.584	1.780
H7	2.568	-1.579
H8	-2.568	1.579
H9	0.254	1.245
H10	-0.254	-1.245

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8353	1.2168	3.3672	1.3130	3.5571	1.0968	4.9320	2.6353	1.9080
C2	3.8353		3.3672	1.2168	3.5571	1.3130	4.9320	1.0968	1.9080	2.6353
O3	1.2168	3.3672		3.3057	2.2607	2.7157	2.0247	4.4201	1.7230	2.3928
O4	3.3672	1.2168	3.3057		2.7157	2.2607	4.4201	2.0247	2.3928	1.7230
O5	1.3130	3.5571	2.2607	2.7157		3.7476	1.9936	4.6066	3.0437	0.9943
O6	3.5571	1.3130	2.7157	2.2607	3.7476		4.6066	1.9936	0.9943	3.0437
H7	1.0968	4.9320	2.0247	4.4201	1.9936	4.6066		6.0287	3.6512	2.8411
H8	4.9320	1.0968	4.4201	2.0247	4.6066	1.9936	6.0287		2.8411	3.6512
H9	2.6353	1.9080	1.7230	2.3928	3.0437	0.9943	3.6512	2.8411		2.5418
H10	1.9080	2.6353	2.3928	1.7230	0.9943	3.0437	2.8411	3.6512	2.5418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	126.526	C1	O5	H10	110.817
C2	O4	H10	126.526	C2	O6	H9	110.817
O3	C1	O5	126.630	O3	C1	H7	122.038
O3	H9	O6	176.027	O4	C2	O6	126.630
O4	C2	H8	122.038	O4	H10	O5	176.027
O5	C1	H7	111.332	O6	C2	H8	111.332

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

using model chemistry: B3LYPultrafine/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	0.208
2	C	0.208
3	O	-0.386
4	O	-0.386
5	O	-0.448
6	O	-0.448
7	H	0.206
8	H	0.206
9	H	0.420
10	H	0.420

	x	y	z
x	6.242	-0.668	0.000
y	-0.668	6.603	0.000
z	0.000	0.000	2.772

<r²>	186.692
(<r²>)^1/2	13.664

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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