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	hartrees
Energy at 0K	-377.565368
Energy at 298.15K	-377.571172
HF Energy	-377.565368
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	235.068071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3809	3438	0.00
2	A_g	3294	2973	0.00
3	A_g	1944	1755	0.00
4	A_g	1566	1413	0.00
5	A_g	1535	1386	0.00
6	A_g	1362	1229	0.00
7	A_g	735	663	0.00
8	A_g	184	167	0.00
9	A_g	165	149	0.00
10	A_u	1213	1095	0.15
11	A_u	970	876	375.79
12	A_u	168	151	11.09
13	A_u	73	66	3.68
14	B_g	1209	1092	0.00
15	B_g	919	830	0.00
16	B_g	247	223	0.00
17	B_u	3860	3484	1499.87
18	B_u	3291	2971	162.77
19	B_u	1997	1802	1041.00
20	B_u	1559	1407	27.34
21	B_u	1507	1361	82.37
22	B_u	1362	1230	467.52
23	B_u	750	677	88.68
24	B_u	230	207	44.88

Atom	x (Å)	y (Å)
C1	1.638	-1.057
C2	-1.638	1.057
O3	1.638	0.139
O4	-1.638	-0.139
O5	0.587	-1.820
O6	-0.587	1.820
H7	2.554	-1.637
H8	-2.554	1.637
H9	0.222	1.299
H10	-0.222	-1.299

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8986	1.1960	3.4018	1.2980	3.6368	1.0842	4.9828	2.7486	1.8757
C2	3.8986		3.4018	1.1960	3.6368	1.2980	4.9828	1.0842	1.8757	2.7486
O3	1.1960	3.4018		3.2872	2.2223	2.7885	1.9980	4.4514	1.8301	2.3509
O4	3.4018	1.1960	3.2872		2.7885	2.2223	4.4514	1.9980	2.3509	1.8301
O5	1.2980	3.6368	2.2223	2.7885		3.8240	1.9753	4.6705	3.1399	0.9625
O6	3.6368	1.2980	2.7885	2.2223	3.8240		4.6705	1.9753	0.9625	3.1399
H7	1.0842	4.9828	1.9980	4.4514	1.9753	4.6705		6.0670	3.7490	2.7968
H8	4.9828	1.0842	4.4514	1.9980	4.6705	1.9753	6.0670		2.7968	3.7490
H9	2.7486	1.8757	1.8301	2.3509	3.1399	0.9625	3.7490	2.7968		2.6357
H10	1.8757	2.7486	2.3509	1.8301	0.9625	3.1399	2.7968	3.7490	2.6357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	129.344	C1	O5	H10	111.284
C2	O4	H10	129.344	C2	O6	H9	111.284
O3	C1	O5	125.969	O3	C1	H7	122.317
O3	H9	O6	173.402	O4	C2	O6	125.969
O4	C2	H8	122.317	O4	H10	O5	173.402
O5	C1	H7	111.714	O6	C2	H8	111.714

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

using model chemistry: HF/6-31G**

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	0.618
2	C	0.618
3	O	-0.596
4	O	-0.596
5	O	-0.581
6	O	-0.581
7	H	0.141
8	H	0.141
9	H	0.419
10	H	0.419

	x	y	z
x	5.193	-0.470	0.000
y	-0.470	5.783	0.000
z	0.000	0.000	2.464

<r²>	189.850
(<r²>)^1/2	13.779

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

using model chemistry: HF/6-31G**

States and conformations

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