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	hartrees
Energy at 0K	-376.126374
Energy at 298.15K	-376.132589
HF Energy	-375.434500
Counterpoise corrected energy	-376.126374
CP Energy at 298.15K	-376.132589
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	232.741432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3172	3029	0.00
2	A_g	2825	2697	0.00
3	A_g	1650	1575	0.00
4	A_g	1521	1452	0.00
5	A_g	1463	1397	0.00
6	A_g	1225	1169	0.00
7	A_g	682	652	0.00
8	A_g	252	240	0.00
9	A_g	186	178	0.00
10	A_u	1186	1132	252.42
11	A_u	1035	988	145.23
12	A_u	208	199	9.35
13	A_u	92	88	0.38
14	B_g	1134	1083	0.00
15	B_g	1050	1003	0.00
16	B_g	307	293	0.00
17	B_u	3174	3031	4.83
18	B_u	2987	2852	2536.61
19	B_u	1693	1616	445.20
20	B_u	1505	1437	22.15
21	B_u	1468	1402	117.89
22	B_u	1220	1164	299.18
23	B_u	719	686	24.88
24	B_u	344	328	72.01

Atom	x (Å)	y (Å)
C1	1.894	-0.101
C2	-1.894	0.101
O3	1.313	1.013
O4	-1.313	-1.013
O5	1.313	-1.312
O6	-1.313	1.312
H7	2.979	-0.183
H8	-2.979	0.183
H9	-0.285	1.253
H10	0.285	-1.253

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7924	1.2563	3.3333	1.3424	3.5037	1.0886	4.8808	2.5648	1.9784
C2	3.7924		3.3333	1.2563	3.5037	1.3424	4.8808	1.0886	1.9784	2.5648
O3	1.2563	3.3333		3.3159	2.3242	2.6424	2.0510	4.3712	1.6154	2.4878
O4	3.3333	1.2563	3.3159		2.6424	2.3242	4.3712	2.0510	2.4878	1.6154
O5	1.3424	3.5037	2.3242	2.6424		3.7113	2.0123	4.5446	3.0212	1.0297
O6	3.5037	1.3424	2.6424	2.3242	3.7113		4.5446	2.0123	1.0297	3.0212
H7	1.0886	4.8808	2.0510	4.3712	2.0123	4.5446		5.9693	3.5657	2.8988
H8	4.8808	1.0886	4.3712	2.0510	4.5446	2.0123	5.9693		2.8988	3.5657
H9	2.5648	1.9784	1.6154	2.4878	3.0212	1.0297	3.5657	2.8988		2.5694
H10	1.9784	2.5648	2.4878	1.6154	1.0297	3.0212	2.8988	3.5657	2.5694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	126.082	C1	O5	H10	112.361
C2	O4	H10	126.082	C2	O6	H9	112.361
O3	C1	O5	126.829	O3	C1	H7	121.853
O3	H9	O6	174.728	O4	C2	O6	126.829
O4	C2	H8	121.853	O4	H10	O5	174.728
O5	C1	H7	111.318	O6	C2	H8	111.318

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C2H4O4 (Formic acid dimer)

using model chemistry: MP2=FULL/3-21G

States and conformations

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