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	hartrees
Energy at 0K	-377.281310
Energy at 298.15K	-377.287923
HF Energy	-377.281310
Nuclear repulsion energy	239.314626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3141	3011	0.00
2	A_g	2117	2030	0.00
3	A_g	1653	1585	0.00
4	A_g	1477	1416	0.00
5	A_g	1395	1337	0.00
6	A_g	1324	1270	0.00
7	A_g	713	684	0.00
8	A_g	348	333	0.00
9	A_g	183	176	0.00
10	A_u	1293	1240	393.85
11	A_u	1088	1043	42.16
12	A_u	230	220	19.29
13	A_u	103	99	0.63
14	B_g	1241	1190	0.00
15	B_g	1099	1054	0.00
16	B_g	324	310	0.00
17	B_u	3139	3009	36.24
18	B_u	2404	2304	4372.43
19	B_u	1744	1672	641.41
20	B_u	1527	1464	227.39
21	B_u	1460	1399	106.22
22	B_u	1336	1281	205.13
23	B_u	769	738	18.20
24	B_u	489	469	97.34

Atom	x (Å)	y (Å)
C1	1.914	-0.216
C2	-1.914	0.216
O3	1.337	0.868
O4	-1.337	-0.868
O5	1.337	-1.418
O6	-1.337	1.418
H7	3.002	-0.306
H8	-3.002	0.306
H9	-0.334	1.391
H10	0.334	-1.391

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8530	1.2280	3.3163	1.3334	3.6388	1.0915	4.9441	2.7633	1.9698
C2	3.8530		3.3163	1.2280	3.6388	1.3334	4.9441	1.0915	1.9698	2.7633
O3	1.2280	3.3163		3.1884	2.2858	2.7302	2.0371	4.3756	1.7507	2.4720
O4	3.3163	1.2280	3.1884		2.7302	2.2858	4.3756	2.0371	2.4720	1.7507
O5	1.3334	3.6388	2.2858	2.7302		3.8977	2.0022	4.6690	3.2682	1.0038
O6	3.6388	1.3334	2.7302	2.2858	3.8977		4.6690	2.0022	1.0038	3.2682
H7	1.0915	4.9441	2.0371	4.3756	2.0022	4.6690		6.0353	3.7425	2.8807
H8	4.9441	1.0915	4.3756	2.0371	4.6690	2.0022	6.0353		2.8807	3.7425
H9	2.7633	1.9698	1.7507	2.4720	3.2682	1.0038	3.7425	2.8807		2.8611
H10	1.9698	2.7633	2.4720	1.7507	1.0038	3.2682	2.8807	3.7425	2.8611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.419	C1	O5	H10	114.129
C2	O4	H10	135.419	C2	O6	H9	114.129
O3	C1	O5	126.310	O3	C1	H7	122.766
O3	H9	O6	164.142	O4	C2	O6	126.310
O4	C2	H8	122.766	O4	H10	O5	164.142
O5	C1	H7	110.925	O6	C2	H8	110.925

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

using model chemistry: M06-2X/3-21G

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	0.495
2	C	0.495
3	O	-0.557
4	O	-0.557
5	O	-0.603
6	O	-0.603
7	H	0.238
8	H	0.238
9	H	0.426
10	H	0.426

	x	y	z
x	6.024	-0.321	0.000
y	-0.321	5.119	0.000
z	0.000	0.000	1.639

<r²>	172.115
(<r²>)^1/2	13.119

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

using model chemistry: M06-2X/3-21G

States and conformations

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