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	hartrees
Energy at 0K	-379.510024
Energy at 298.15K	-379.515827
HF Energy	-379.510024
Nuclear repulsion energy	233.228830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3015	2999	0.00
2	A_g	2834	2819	0.00
3	A_g	1613	1605	0.00
4	A_g	1427	1420	0.00
5	A_g	1355	1347	0.00
6	A_g	1205	1198	0.00
7	A_g	656	652	0.00
8	A_g	200	199	0.00
9	A_g	169	168	0.00
10	A_u	1073	1068	138.07
11	A_u	967	961	82.13
12	A_u	184	184	8.76
13	A_u	77	76	2.04
14	B_g	1032	1027	0.00
15	B_g	966	961	0.00
16	B_g	260	258	0.00
17	B_u	3025	3009	118.04
18	B_u	2948	2932	2775.52
19	B_u	1688	1680	768.71
20	B_u	1406	1399	0.95
21	B_u	1351	1344	38.13
22	B_u	1208	1202	309.95
23	B_u	693	689	30.12
24	B_u	271	270	77.09

Atom	x (Å)	y (Å)
C1	1.600	-1.121
C2	-1.600	1.121
O3	1.600	0.108
O4	-1.600	-0.108
O5	0.526	-1.908
O6	-0.526	1.908
H7	2.533	-1.717
H8	-2.533	1.717
H9	0.312	1.366
H10	-0.312	-1.366

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.9065	1.2282	3.3561	1.3319	3.7004	1.1073	5.0130	2.8008	1.9271
C2	3.9065		3.3561	1.2282	3.7004	1.3319	5.0130	1.1073	1.9271	2.8008
O3	1.2282	3.3561		3.2069	2.2842	2.7859	2.0493	4.4349	1.8011	2.4137
O4	3.3561	1.2282	3.2069		2.7859	2.2842	4.4349	2.0493	2.4137	1.8011
O5	1.3319	3.7004	2.2842	2.7859		3.9590	2.0160	4.7433	3.2817	0.9975
O6	3.7004	1.3319	2.7859	2.2842	3.9590		4.7433	2.0160	0.9975	3.2817
H7	1.1073	5.0130	2.0493	4.4349	2.0160	4.7433		6.1198	3.8001	2.8658
H8	5.0130	1.1073	4.4349	2.0493	4.7433	2.0160	6.1198		2.8658	3.8001
H9	2.8008	1.9271	1.8011	2.4137	3.2817	0.9975	3.8001	2.8658		2.8029
H10	1.9271	2.8008	2.4137	1.8011	0.9975	3.2817	2.8658	3.8001	2.8029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.334	C1	O5	H10	110.826
C2	O4	H10	134.334	C2	O6	H9	110.826
O3	C1	O5	126.263	O3	C1	H7	122.587
O3	H9	O6	168.577	O4	C2	O6	126.263
O4	C2	H8	122.587	O4	H10	O5	168.577
O5	C1	H7	111.150	O6	C2	H8	111.150

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

using model chemistry: BLYP/6-31+G**

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	0.338
2	C	0.338
3	O	-0.490
4	O	-0.490
5	O	-0.406
6	O	-0.406
7	H	0.131
8	H	0.131
9	H	0.427
10	H	0.427

	x	y	z
x	7.675	-0.494	0.000
y	-0.494	8.142	0.000
z	0.000	0.000	3.991

<r²>	186.609
(<r²>)^1/2	13.660

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

using model chemistry: BLYP/6-31+G**

States and conformations

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