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	hartrees
Energy at 0K	-379.300837
Energy at 298.15K	-379.306746
HF Energy	-378.944744
Nuclear repulsion energy	234.862355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3127	3127	0.00
2	A_g	3104	3104	0.00
3	A_g	1683	1683	0.00
4	A_g	1478	1478	0.00
5	A_g	1392	1392	0.00
6	A_g	1245	1245	0.00
7	A_g	676	676	0.00
8	A_g	211	211	0.00
9	A_g	175	175	0.00
10	A_u	1106	1106	66.92
11	A_u	991	991	121.83
12	A_u	182	182	10.09
13	A_u	75	75	2.21
14	B_g	1079	1079	0.00
15	B_g	973	973	0.00
16	B_g	262	262	0.00
17	B_u	3219	3219	2094.47
18	B_u	3117	3117	487.27
19	B_u	1749	1749	766.40
20	B_u	1451	1451	1.40
21	B_u	1389	1389	35.86
22	B_u	1249	1249	322.62
23	B_u	709	709	39.30
24	B_u	279	279	69.01

Atom	x (Å)	y (Å)
C1	1.586	-1.121
C2	-1.586	1.121
O3	1.586	0.098
O4	-1.586	-0.098
O5	0.516	-1.899
O6	-0.516	1.899
H7	2.514	-1.717
H8	-2.514	1.717
H9	0.301	1.348
H10	-0.301	-1.348

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8838	1.2187	3.3323	1.3223	3.6797	1.1028	4.9857	2.7836	1.9003
C2	3.8838		3.3323	1.2187	3.6797	1.3223	4.9857	1.1028	1.9003	2.7836
O3	1.2187	3.3323		3.1772	2.2649	2.7684	2.0378	4.4075	1.7929	2.3770
O4	3.3323	1.2187	3.1772		2.7684	2.2649	4.4075	2.0378	2.3770	1.7929
O5	1.3223	3.6797	2.2649	2.7684		3.9361	2.0056	4.7175	3.2546	0.9857
O6	3.6797	1.3223	2.7684	2.2649	3.9361		4.7175	2.0056	0.9857	3.2546
H7	1.1028	4.9857	2.0378	4.4075	2.0056	4.7175		6.0879	3.7802	2.8388
H8	4.9857	1.1028	4.4075	2.0378	4.7175	2.0056	6.0879		2.8388	3.7802
H9	2.7836	1.9003	1.7929	2.3770	3.2546	0.9857	3.7802	2.8388		2.7632
H10	1.9003	2.7836	2.3770	1.7929	0.9857	3.2546	2.8388	3.7802	2.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.239	C1	O5	H10	109.995
C2	O4	H10	134.239	C2	O6	H9	109.995
O3	C1	O5	126.040	O3	C1	H7	122.685
O3	H9	O6	169.725	O4	C2	O6	126.040
O4	C2	H8	122.685	O4	H10	O5	169.725
O5	C1	H7	111.274	O6	C2	H8	111.274

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

using model chemistry: B2PLYP/aug-cc-pVDZ

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	0.860
2	C	0.860
3	O	-0.453
4	O	-0.453
5	O	-0.278
6	O	-0.278
7	H	-0.342
8	H	-0.342
9	H	0.213
10	H	0.213

	x	y	z
x	7.661	-0.462	0.000
y	-0.462	8.016	0.000
z	0.000	0.000	4.429

<r²>	184.831
(<r²>)^1/2	13.595

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

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

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