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	hartrees
Energy at 0K	-379.498213
Energy at 298.15K	-379.504145
HF Energy	-379.498213
Nuclear repulsion energy	235.728230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3162	3045	0.00
2	A_g	3092	2977	0.00
3	A_g	1748	1683	0.00
4	A_g	1479	1424	0.00
5	A_g	1414	1361	0.00
6	A_g	1275	1228	0.00
7	A_g	691	665	0.00
8	A_g	214	206	0.00
9	A_g	174	168	0.00
10	A_u	1100	1059	83.16
11	A_u	993	956	208.27
12	A_u	185	178	6.48
13	A_u	77	74	2.17
14	B_g	1076	1036	0.00
15	B_g	970	933	0.00
16	B_g	275	264	0.00
17	B_u	3262	3140	1845.61
18	B_u	3085	2970	368.88
19	B_u	1816	1748	829.46
20	B_u	1451	1396	0.21
21	B_u	1411	1358	55.03
22	B_u	1275	1227	350.13
23	B_u	719	692	49.69
24	B_u	280	270	61.64

Atom	x (Å)	y (Å)
C1	1.629	-0.986
C2	-1.629	0.986
O3	1.629	0.230
O4	-1.629	-0.230
O5	0.580	-1.766
O6	-0.580	1.766
H7	2.561	-1.565
H8	-2.561	1.565
H9	0.258	1.229
H10	-0.258	-1.229

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8080	1.2161	3.3443	1.3073	3.5287	1.0973	4.9052	2.6042	1.9029
C2	3.8080		3.3443	1.2161	3.5287	1.3073	4.9052	1.0973	1.9029	2.6042
O3	1.2161	3.3443		3.2903	2.2552	2.6903	2.0228	4.3973	1.6955	2.3854
O4	3.3443	1.2161	3.2903		2.6903	2.2552	4.3973	2.0228	2.3854	1.6955
O5	1.3073	3.5287	2.2552	2.6903		3.7177	1.9911	4.5783	3.0118	0.9959
O6	3.5287	1.3073	2.6903	2.2552	3.7177		4.5783	1.9911	0.9959	3.0118
H7	1.0973	4.9052	2.0228	4.3973	1.9911	4.5783		6.0024	3.6201	2.8393
H8	4.9052	1.0973	4.3973	2.0228	4.5783	1.9911	6.0024		2.8393	3.6201
H9	2.6042	1.9029	1.6955	2.3854	3.0118	0.9959	3.6201	2.8393		2.5109
H10	1.9029	2.6042	2.3854	1.6955	0.9959	3.0118	2.8393	3.6201	2.5109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	126.067	C1	O5	H10	110.694
C2	O4	H10	126.067	C2	O6	H9	110.694
O3	C1	O5	126.644	O3	C1	H7	121.855
O3	H9	O6	176.595	O4	C2	O6	126.644
O4	C2	H8	121.855	O4	H10	O5	176.595
O5	C1	H7	111.501	O6	C2	H8	111.501

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

using model chemistry: B3PW91/6-311G*

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	0.210
2	C	0.210
3	O	-0.401
4	O	-0.401
5	O	-0.453
6	O	-0.453
7	H	0.214
8	H	0.214
9	H	0.430
10	H	0.430

	x	y	z
x	6.195	-0.656	0.000
y	-0.656	6.551	0.000
z	0.000	0.000	2.771

<r²>	184.408
(<r²>)^1/2	13.580

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

using model chemistry: B3PW91/6-311G*

States and conformations

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