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	hartrees
Energy at 0K	-379.287668
Energy at 298.15K	-379.293650
HF Energy	-379.287668
Nuclear repulsion energy	237.387512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3095	2970	0.00
2	A_g	3041	2918	0.00
3	A_g	1735	1664	0.00
4	A_g	1487	1427	0.00
5	A_g	1417	1360	0.00
6	A_g	1289	1237	0.00
7	A_g	699	670	0.00
8	A_g	214	206	0.00
9	A_g	174	167	0.00
10	A_u	1115	1070	94.91
11	A_u	1016	975	158.91
12	A_u	187	180	9.95
13	A_u	80	76	2.43
14	B_g	1087	1043	0.00
15	B_g	995	955	0.00
16	B_g	266	256	0.00
17	B_u	3170	3042	2084.45
18	B_u	3082	2957	735.19
19	B_u	1813	1740	864.30
20	B_u	1458	1399	1.33
21	B_u	1417	1359	63.07
22	B_u	1289	1237	337.46
23	B_u	732	702	43.07
24	B_u	288	277	79.36

Atom	x (Å)	y (Å)
C1	1.576	-1.121
C2	-1.576	1.121
O3	1.576	0.087
O4	-1.576	-0.087
O5	0.516	-1.891
O6	-0.516	1.891
H7	2.501	-1.713
H8	-2.501	1.713
H9	0.302	1.342
H10	-0.302	-1.342

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8670	1.2079	3.3163	1.3102	3.6663	1.0986	4.9646	2.7725	1.8902
C2	3.8670		3.3163	1.2079	3.6663	1.3102	4.9646	1.0986	1.8902	2.7725
O3	1.2079	3.3163		3.1560	2.2441	2.7615	2.0241	4.3886	1.7880	2.3593
O4	3.3163	1.2079	3.1560		2.7615	2.2441	4.3886	2.0241	2.3593	1.7880
O5	1.3102	3.6663	2.2441	2.7615		3.9195	1.9931	4.6996	3.2396	0.9845
O6	3.6663	1.3102	2.7615	2.2441	3.9195		4.6996	1.9931	0.9845	3.2396
H7	1.0986	4.9646	2.0241	4.3886	1.9931	4.6996		6.0625	3.7641	2.8269
H8	4.9646	1.0986	4.3886	2.0241	4.6996	1.9931	6.0625		2.8269	3.7641
H9	2.7725	1.8902	1.7880	2.3593	3.2396	0.9845	3.7641	2.8269		2.7506
H10	1.8902	2.7725	2.3593	1.7880	0.9845	3.2396	2.8269	3.7641	2.7506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.562	C1	O5	H10	110.115
C2	O4	H10	134.562	C2	O6	H9	110.115
O3	C1	O5	125.996	O3	C1	H7	122.633
O3	H9	O6	169.327	O4	C2	O6	125.996
O4	C2	H8	122.633	O4	H10	O5	169.327
O5	C1	H7	111.372	O6	C2	H8	111.372

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

using model chemistry: PBE1PBE/TZVP

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	0.245
2	C	0.245
3	O	-0.401
4	O	-0.401
5	O	-0.247
6	O	-0.247
7	H	0.110
8	H	0.110
9	H	0.292
10	H	0.292

	x	y	z
x	6.568	-0.534	0.000
y	-0.534	7.094	0.000
z	0.000	0.000	3.338

<r²>	180.955
(<r²>)^1/2	13.452

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

using model chemistry: PBE1PBE/TZVP

States and conformations

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