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	hartrees
Energy at 0K	-377.647100
Energy at 298.15K	-377.652886
HF Energy	-377.647100
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	234.881449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3869	3499	0.00
2	A_g	3300	2985	0.00
3	A_g	1935	1750	0.00
4	A_g	1569	1419	0.00
5	A_g	1524	1378	0.00
6	A_g	1350	1221	0.00
7	A_g	734	664	0.00
8	A_g	184	166	0.00
9	A_g	165	149	0.00
10	A_u	1208	1093	0.03
11	A_u	964	872	404.05
12	A_u	165	149	8.71
13	A_u	76	68	3.58
14	B_g	1205	1090	0.00
15	B_g	914	827	0.00
16	B_g	241	218	0.00
17	B_u	3908	3534	1155.19
18	B_u	3298	2982	166.90
19	B_u	1984	1794	1128.84
20	B_u	1562	1412	25.89
21	B_u	1501	1357	59.51
22	B_u	1353	1224	512.94
23	B_u	744	673	95.04
24	B_u	224	203	39.09

Atom	x (Å)	y (Å)
C1	1.627	-1.088
C2	-1.627	1.088
O3	1.627	0.102
O4	-1.627	-0.102
O5	0.576	-1.850
O6	-0.576	1.850
H7	2.540	-1.671
H8	-2.540	1.671
H9	0.231	1.338
H10	-0.231	-1.338

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.9135	1.1896	3.3993	1.2981	3.6715	1.0837	4.9970	2.7982	1.8742
C2	3.9135		3.3993	1.1896	3.6715	1.2981	4.9970	1.0837	1.8742	2.7982
O3	1.1896	3.3993		3.2596	2.2167	2.8118	1.9941	4.4522	1.8641	2.3499
O4	3.3993	1.1896	3.2596		2.8118	2.2167	4.4522	1.9941	2.3499	1.8641
O5	1.2981	3.6715	2.2167	2.8118		3.8748	1.9724	4.7014	3.2060	0.9556
O6	3.6715	1.2981	2.8118	2.2167	3.8748		4.7014	1.9724	0.9556	3.2060
H7	1.0837	4.9970	1.9941	4.4522	1.9724	4.7014		6.0805	3.7924	2.7909
H8	4.9970	1.0837	4.4522	1.9941	4.7014	1.9724	6.0805		2.7909	3.7924
H9	2.7982	1.8742	1.8641	2.3499	3.2060	0.9556	3.7924	2.7909		2.7146
H10	1.8742	2.7982	2.3499	1.8641	0.9556	3.2060	2.7909	3.7924	2.7146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	131.516	C1	O5	H10	111.624
C2	O4	H10	131.516	C2	O6	H9	111.624
O3	C1	O5	125.957	O3	C1	H7	122.547
O3	H9	O6	170.903	O4	C2	O6	125.957
O4	C2	H8	122.547	O4	H10	O5	170.903
O5	C1	H7	111.496	O6	C2	H8	111.496

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

using model chemistry: HF/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	0.378
2	C	0.378
3	O	-0.504
4	O	-0.504
5	O	-0.583
6	O	-0.583
7	H	0.217
8	H	0.217
9	H	0.492
10	H	0.492

	x	y	z
x	5.086	-0.440	0.000
y	-0.440	5.823	0.000
z	0.000	0.000	2.572

<r²>	191.546
(<r²>)^1/2	13.840

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

using model chemistry: HF/6-311G*

States and conformations

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