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	hartrees
Energy at 0K	-379.581071
Energy at 298.15K	-379.587099
HF Energy	-379.581071
Nuclear repulsion energy	237.091135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3160	3021	0.00
2	A_g	3092	2956	0.00
3	A_g	1747	1671	0.00
4	A_g	1499	1433	0.00
5	A_g	1420	1357	0.00
6	A_g	1290	1233	0.00
7	A_g	703	672	0.00
8	A_g	227	217	0.00
9	A_g	179	171	0.00
10	A_u	1113	1064	52.46
11	A_u	1012	968	154.04
12	A_u	191	183	9.93
13	A_u	75	72	2.47
14	B_g	1094	1046	0.00
15	B_g	986	943	0.00
16	B_g	273	261	0.00
17	B_u	3272	3128	2318.34
18	B_u	3086	2950	319.35
19	B_u	1824	1743	821.66
20	B_u	1460	1396	1.20
21	B_u	1419	1357	57.31
22	B_u	1290	1233	327.68
23	B_u	734	702	44.51
24	B_u	295	282	71.22

Atom	x (Å)	y (Å)
C1	1.630	-0.959
C2	-1.630	0.959
O3	1.630	0.254
O4	-1.630	-0.254
O5	0.581	-1.732
O6	-0.581	1.732
H7	2.562	-1.534
H8	-2.562	1.534
H9	0.254	1.188
H10	-0.254	-1.188

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7819	1.2137	3.3345	1.3026	3.4824	1.0948	4.8766	2.5503	1.8979
C2	3.7819		3.3345	1.2137	3.4824	1.3026	4.8766	1.0948	1.8979	2.5503
O3	1.2137	3.3345		3.2987	2.2461	2.6586	2.0165	4.3821	1.6624	2.3731
O4	3.3345	1.2137	3.2987		2.6586	2.2461	4.3821	2.0165	2.3731	1.6624
O5	1.3026	3.4824	2.2461	2.6586		3.6531	1.9906	4.5319	2.9384	0.9964
O6	3.4824	1.3026	2.6586	2.2461	3.6531		4.5319	1.9906	0.9964	2.9384
H7	1.0948	4.8766	2.0165	4.3821	1.9906	4.5319		5.9713	3.5684	2.8370
H8	4.8766	1.0948	4.3821	2.0165	4.5319	1.9906	5.9713		2.8370	3.5684
H9	2.5503	1.8979	1.6624	2.3731	2.9384	0.9964	3.5684	2.8370		2.4308
H10	1.8979	2.5503	2.3731	1.6624	0.9964	2.9384	2.8370	3.5684	2.4308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	124.183	C1	O5	H10	110.583
C2	O4	H10	124.183	C2	O6	H9	110.583
O3	C1	O5	126.374	O3	C1	H7	121.654
O3	H9	O6	178.860	O4	C2	O6	126.374
O4	C2	H8	121.654	O4	H10	O5	178.860
O5	C1	H7	111.972	O6	C2	H8	111.972

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

using model chemistry: wB97X-D/cc-pVTZ

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	0.252
2	C	0.252
3	O	-0.357
4	O	-0.357
5	O	-0.246
6	O	-0.246
7	H	0.095
8	H	0.095
9	H	0.258
10	H	0.258

	x	y	z
x	6.758	-0.604	0.000
y	-0.604	7.009	0.000
z	0.000	0.000	3.548

<r²>	181.505
(<r²>)^1/2	13.472

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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