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	hartrees
Energy at 0K	-379.270107
Energy at 298.15K	-379.276039
HF Energy	-377.731242
Counterpoise corrected energy	-379.270107
CP Energy at 298.15K	-379.276039
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	237.052904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3154	3019	0.00
2	A_g	3127	2993	0.00
3	A_g	1724	1650	0.00
4	A_g	1490	1426	0.00
5	A_g	1423	1362	0.00
6	A_g	1274	1220	0.00
7	A_g	693	664	0.00
8	A_g	213	204	0.00
9	A_g	170	163	0.00
10	A_u	1125	1076	62.74
11	A_u	1008	964	125.68
12	A_u	181	174	9.39
13	A_u	71	68	2.07
14	B_g	1100	1053	0.00
15	B_g	988	945	0.00
16	B_g	264	253	0.00
17	B_u	3250	3111	2142.91
18	B_u	3144	3009	460.84
19	B_u	1793	1716	738.01
20	B_u	1462	1400	2.65
21	B_u	1418	1357	37.69
22	B_u	1278	1223	335.71
23	B_u	724	693	40.42
24	B_u	284	271	69.68

Atom	x (Å)	y (Å)
C1	1.624	-0.966
C2	-1.624	0.966
O3	1.624	0.252
O4	-1.624	-0.252
O5	0.572	-1.739
O6	-0.572	1.739
H7	2.548	-1.540
H8	-2.548	1.540
H9	0.254	1.183
H10	-0.254	-1.183

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7780	1.2172	3.3247	1.3059	3.4835	1.0880	4.8658	2.5479	1.8902
C2	3.7780		3.3247	1.2172	3.4835	1.3059	4.8658	1.0880	1.8902	2.5479
O3	1.2172	3.3247		3.2859	2.2517	2.6518	2.0158	4.3655	1.6562	2.3629
O4	3.3247	1.2172	3.2859		2.6518	2.2517	4.3655	2.0158	2.3629	1.6562
O5	1.3059	3.4835	2.2517	2.6518		3.6616	1.9860	4.5258	2.9395	0.9956
O6	3.4835	1.3059	2.6518	2.2517	3.6616		4.5258	1.9860	0.9956	2.9395
H7	1.0880	4.8658	2.0158	4.3655	1.9860	4.5258		5.9536	3.5601	2.8242
H8	4.8658	1.0880	4.3655	2.0158	4.5258	1.9860	5.9536		2.8242	3.5601
H9	2.5479	1.8902	1.6562	2.3629	2.9395	0.9956	3.5601	2.8242		2.4199
H10	1.8902	2.5479	2.3629	1.6562	0.9956	2.9395	2.8242	3.5601	2.4199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	124.219	C1	O5	H10	109.693
C2	O4	H10	124.219	C2	O6	H9	109.693
O3	C1	O5	126.335	O3	C1	H7	121.866
O3	H9	O6	179.753	O4	C2	O6	126.335
O4	C2	H8	121.866	O4	H10	O5	179.753
O5	C1	H7	111.799	O6	C2	H8	111.799

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

using model chemistry: MP2=FULL/cc-pVQZ

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/cc-pVQZ

States and conformations

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