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	hartrees
Energy at 0K	-379.437510
Energy at 298.15K	-379.443537
HF Energy	-379.437510
Nuclear repulsion energy	236.716353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3168	3168	0.00
2	A_g	3123	3123	0.00
3	A_g	1778	1778	0.00
4	A_g	1512	1512	0.00
5	A_g	1435	1435	0.00
6	A_g	1310	1310	0.00
7	A_g	700	700	0.00
8	A_g	223	223	0.00
9	A_g	182	182	0.00
10	A_u	1119	1119	70.27
11	A_u	1014	1014	199.50
12	A_u	192	192	8.99
13	A_u	79	79	2.13
14	B_g	1095	1095	0.00
15	B_g	991	991	0.00
16	B_g	283	283	0.00
17	B_u	3289	3289	2303.85
18	B_u	3116	3116	388.21
19	B_u	1854	1854	778.97
20	B_u	1466	1466	3.83
21	B_u	1433	1433	71.84
22	B_u	1308	1308	325.48
23	B_u	733	733	49.33
24	B_u	296	296	71.26

Atom	x (Å)	y (Å)
C1	1.623	-0.965
C2	-1.623	0.965
O3	1.623	0.256
O4	-1.623	-0.256
O5	0.574	-1.741
O6	-0.574	1.741
H7	2.558	-1.539
H8	-2.558	1.539
H9	0.264	1.195
H10	-0.264	-1.195

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7759	1.2212	3.3220	1.3048	3.4851	1.0968	4.8726	2.5519	1.9005
C2	3.7759		3.3220	1.2212	3.4851	1.3048	4.8726	1.0968	1.9005	2.5519
O3	1.2212	3.3220		3.2858	2.2559	2.6512	2.0237	4.3726	1.6518	2.3802
O4	3.3220	1.2212	3.2858		2.6512	2.2559	4.3726	2.0237	2.3802	1.6518
O5	1.3048	3.4851	2.2559	2.6512		3.6659	1.9941	4.5343	2.9522	0.9996
O6	3.4851	1.3048	2.6512	2.2559	3.6659		4.5343	1.9941	0.9996	2.9522
H7	1.0968	4.8726	2.0237	4.3726	1.9941	4.5343		5.9694	3.5685	2.8421
H8	4.8726	1.0968	4.3726	2.0237	4.5343	1.9941	5.9694		2.8421	3.5685
H9	2.5519	1.9005	1.6518	2.3802	2.9522	0.9996	3.5685	2.8421		2.4476
H10	1.9005	2.5519	2.3802	1.6518	0.9996	2.9522	2.8421	3.5685	2.4476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	124.632	C1	O5	H10	110.416
C2	O4	H10	124.632	C2	O6	H9	110.416
O3	C1	O5	126.492	O3	C1	H7	121.538
O3	H9	O6	178.460	O4	C2	O6	126.492
O4	C2	H8	121.538	O4	H10	O5	178.460
O5	C1	H7	111.970	O6	C2	H8	111.970

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

using model chemistry: wB97X-D/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	0.443
2	C	0.443
3	O	-0.497
4	O	-0.497
5	O	-0.472
6	O	-0.472
7	H	0.141
8	H	0.141
9	H	0.385
10	H	0.385

	x	y	z
x	6.104	-0.648	0.000
y	-0.648	6.321	0.000
z	0.000	0.000	2.571

<r²>	181.297
(<r²>)^1/2	13.465

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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