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	hartrees
Energy at 0K	-379.197441
Energy at 298.15K	-379.203308
HF Energy	-378.873275
Nuclear repulsion energy	233.887735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3202	3039	0.00
2	A_g	3154	2994	0.00
3	A_g	1749	1660	0.00
4	A_g	1491	1415	0.00
5	A_g	1432	1360	0.00
6	A_g	1267	1203	0.00
7	A_g	681	647	0.00
8	A_g	213	202	0.00
9	A_g	174	165	0.00
10	A_u	1104	1048	52.87
11	A_u	972	922	228.18
12	A_u	177	168	6.20
13	A_u	74	70	1.98
14	B_g	1083	1028	0.00
15	B_g	946	898	0.00
16	B_g	271	257	0.00
17	B_u	3301	3133	1864.97
18	B_u	3148	2988	350.75
19	B_u	1809	1717	689.34
20	B_u	1465	1390	0.40
21	B_u	1421	1349	50.75
22	B_u	1267	1203	334.17
23	B_u	709	673	49.34
24	B_u	277	263	55.67

Atom	x (Å)	y (Å)
C1	1.585	-1.117
C2	-1.585	1.117
O3	1.585	0.101
O4	-1.585	-0.101
O5	0.525	-1.904
O6	-0.525	1.904
H7	2.510	-1.708
H8	-2.510	1.708
H9	0.297	1.355
H10	-0.297	-1.355

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8791	1.2185	3.3295	1.3200	3.6856	1.0977	4.9759	2.7878	1.8968
C2	3.8791		3.3295	1.2185	3.6856	1.3200	4.9759	1.0977	1.8968	2.7878
O3	1.2185	3.3295		3.1770	2.2681	2.7758	2.0322	4.3997	1.7978	2.3792
O4	3.3295	1.2185	3.1770		2.7758	2.2681	4.3997	2.0322	2.3792	1.7978
O5	1.3200	3.6856	2.2681	2.7758		3.9503	1.9946	4.7185	3.2667	0.9886
O6	3.6856	1.3200	2.7758	2.2681	3.9503		4.7185	1.9946	0.9886	3.2667
H7	1.0977	4.9759	2.0322	4.3997	1.9946	4.7185		6.0729	3.7793	2.8290
H8	4.9759	1.0977	4.3997	2.0322	4.7185	1.9946	6.0729		2.8290	3.7793
H9	2.7878	1.8968	1.7978	2.3792	3.2667	0.9886	3.7793	2.8290		2.7734
H10	1.8968	2.7878	2.3792	1.7978	0.9886	3.2667	2.8290	3.7793	2.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.208	C1	O5	H10	109.659
C2	O4	H10	134.208	C2	O6	H9	109.659
O3	C1	O5	126.577	O3	C1	H7	122.581
O3	H9	O6	169.556	O4	C2	O6	126.577
O4	C2	H8	122.581	O4	H10	O5	169.556
O5	C1	H7	110.842	O6	C2	H8	110.842

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

using model chemistry: B2PLYP/6-31G*

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	0.386
2	C	0.386
3	O	-0.466
4	O	-0.466
5	O	-0.555
6	O	-0.555
7	H	0.167
8	H	0.167
9	H	0.469
10	H	0.469

	x	y	z
x	6.159	-0.612	0.000
y	-0.612	6.475	0.000
z	0.000	0.000	2.515

<r²>	187.149
(<r²>)^1/2	13.680

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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