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	hartrees
Energy at 0K	-379.542610
Energy at 298.15K	-379.548597
HF Energy	-379.542610
Nuclear repulsion energy	236.605838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3231	3091	0.00
2	A_g	3098	2963	0.00
3	A_g	1765	1688	0.00
4	A_g	1498	1433	0.00
5	A_g	1420	1359	0.00
6	A_g	1292	1236	0.00
7	A_g	701	671	0.00
8	A_g	215	205	0.00
9	A_g	176	168	0.00
10	A_u	1116	1067	55.24
11	A_u	1006	963	202.30
12	A_u	191	182	9.05
13	A_u	77	74	2.42
14	B_g	1097	1049	0.00
15	B_g	978	936	0.00
16	B_g	278	266	0.00
17	B_u	3336	3191	2189.32
18	B_u	3092	2958	276.58
19	B_u	1837	1757	844.74
20	B_u	1462	1398	1.13
21	B_u	1420	1358	58.55
22	B_u	1292	1236	346.71
23	B_u	729	698	51.79
24	B_u	279	267	65.39

Atom	x (Å)	y (Å)
C1	1.618	-0.989
C2	-1.618	0.989
O3	1.618	0.225
O4	-1.618	-0.225
O5	0.568	-1.762
O6	-0.568	1.762
H7	2.550	-1.568
H8	-2.550	1.568
H9	0.262	1.215
H10	-0.262	-1.215

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7931	1.2139	3.3258	1.3045	3.5135	1.0964	4.8895	2.5874	1.8938
C2	3.7931		3.3258	1.2139	3.5135	1.3045	4.8895	1.0964	1.8938	2.5874
O3	1.2139	3.3258		3.2682	2.2477	2.6722	2.0202	4.3789	1.6791	2.3682
O4	3.3258	1.2139	3.2682		2.6722	2.2477	4.3789	2.0202	2.3682	1.6791
O5	1.3045	3.5135	2.2477	2.6722		3.7020	1.9913	4.5610	2.9920	0.9937
O6	3.5135	1.3045	2.6722	2.2477	3.7020		4.5610	1.9913	0.9937	2.9920
H7	1.0964	4.8895	2.0202	4.3789	1.9913	4.5610		5.9858	3.6020	2.8334
H8	4.8895	1.0964	4.3789	2.0202	4.5610	1.9913	5.9858		2.8334	3.6020
H9	2.5874	1.8938	1.6791	2.3682	2.9920	0.9937	3.6020	2.8334		2.4849
H10	1.8938	2.5874	2.3682	1.6791	0.9937	2.9920	2.8334	3.6020	2.4849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	126.099	C1	O5	H10	110.240
C2	O4	H10	126.099	C2	O6	H9	110.240
O3	C1	O5	126.346	O3	C1	H7	121.873
O3	H9	O6	177.315	O4	C2	O6	126.346
O4	C2	H8	121.873	O4	H10	O5	177.315
O5	C1	H7	111.782	O6	C2	H8	111.782

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

using model chemistry: wB97X-D/6-311G**

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	0.281
2	C	0.281
3	O	-0.406
4	O	-0.406
5	O	-0.291
6	O	-0.291
7	H	0.121
8	H	0.121
9	H	0.295
10	H	0.295

	x	y	z
x	6.100	-0.628	0.000
y	-0.628	6.528	0.000
z	0.000	0.000	2.867

<r²>	182.642
(<r²>)^1/2	13.515

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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