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	hartrees
Energy at 0K	-379.318176
Energy at 298.15K
HF Energy	-378.915741
Nuclear repulsion energy	236.453113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3120	3120	0.00
2	A_g	3102	3102	0.00
3	A_g	1730	1730	0.00
4	A_g	1500	1500	0.00
5	A_g	1424	1424	0.00
6	A_g	1272	1272	0.00
7	A_g	689	689	0.00
8	A_g	212	212	0.00
9	A_g	176	176	0.00
10	A_u	1118	1118	46.15
11	A_u	994	994	153.48
12	A_u	183	183	7.29
13	A_u	76	76	1.77
14	B_g	1094	1094	0.00
15	B_g	977	977	0.00
16	B_g	276	276	0.00
17	B_u	3243	3243	2166.63
18	B_u	3097	3097	433.98
19	B_u	1801	1801	668.07
20	B_u	1470	1470	1.47
21	B_u	1421	1421	49.03
22	B_u	1274	1274	296.01
23	B_u	725	725	37.90
24	B_u	286	286	70.59

Atom	x (Å)	y (Å)
C1	1.628	-0.956
C2	-1.628	0.956
O3	1.628	0.263
O4	-1.628	-0.263
O5	0.582	-1.741
O6	-0.582	1.741
H7	2.560	-1.532
H8	-2.560	1.532
H9	0.255	1.196
H10	-0.255	-1.196

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7759	1.2193	3.3289	1.3083	3.4868	1.0953	4.8710	2.5527	1.8978
C2	3.7759		3.3289	1.2193	3.4868	1.3083	4.8710	1.0953	1.8978	2.5527
O3	1.2193	3.3289		3.2982	2.2612	2.6584	2.0223	4.3757	1.6600	2.3816
O4	3.3289	1.2193	3.2982		2.6584	2.2612	4.3757	2.0223	2.3816	1.6600
O5	1.3083	3.4868	2.2612	2.6584		3.6717	1.9894	4.5366	2.9551	0.9985
O6	3.4868	1.3083	2.6584	2.2612	3.6717		4.5366	1.9894	0.9985	2.9551
H7	1.0953	4.8710	2.0223	4.3757	1.9894	4.5366		5.9662	3.5710	2.8344
H8	4.8710	1.0953	4.3757	2.0223	4.5366	1.9894	5.9662		2.8344	3.5710
H9	2.5527	1.8978	1.6600	2.3816	2.9551	0.9985	3.5710	2.8344		2.4448
H10	1.8978	2.5527	2.3816	1.6600	0.9985	2.9551	2.8344	3.5710	2.4448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	124.176	C1	O5	H10	109.985
C2	O4	H10	124.176	C2	O6	H9	109.985
O3	C1	O5	126.884	O3	C1	H7	121.703
O3	H9	O6	178.956	O4	C2	O6	126.884
O4	C2	H8	121.703	O4	H10	O5	178.956
O5	C1	H7	111.414	O6	C2	H8	111.414

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

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