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	hartrees
Energy at 0K	-379.640997
Energy at 298.15K	-379.646781
HF Energy	-379.640997
Nuclear repulsion energy	233.082692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2989	2981	0.00
2	A_g	2905	2898	0.00
3	A_g	1622	1618	0.00
4	A_g	1426	1422	0.00
5	A_g	1358	1355	0.00
6	A_g	1186	1183	0.00
7	A_g	660	659	0.00
8	A_g	199	198	0.00
9	A_g	169	168	0.00
10	A_u	1061	1058	108.59
11	A_u	953	951	126.19
12	A_u	179	178	7.31
13	A_u	76	76	2.13
14	B_g	1029	1027	0.00
15	B_g	939	937	0.00
16	B_g	256	256	0.00
17	B_u	3032	3024	1340.17
18	B_u	2969	2962	1226.51
19	B_u	1687	1683	721.93
20	B_u	1407	1404	2.92
21	B_u	1355	1352	36.61
22	B_u	1191	1188	327.09
23	B_u	692	690	32.29
24	B_u	265	265	69.09

Atom	x (Å)	y (Å)
C1	1.597	-1.116
C2	-1.597	1.116
O3	1.597	0.105
O4	-1.597	-0.105
O5	0.528	-1.905
O6	-0.528	1.905
H7	2.528	-1.710
H8	-2.528	1.710
H9	0.309	1.366
H10	-0.309	-1.366

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8966	1.2215	3.3498	1.3281	3.6938	1.1044	5.0002	2.7962	1.9218
C2	3.8966		3.3498	1.2215	3.6938	1.3281	5.0002	1.1044	1.9218	2.7962
O3	1.2215	3.3498		3.2005	2.2766	2.7849	2.0402	4.4260	1.8021	2.4071
O4	3.3498	1.2215	3.2005		2.7849	2.2766	4.4260	2.0402	2.4071	1.8021
O5	1.3281	3.6938	2.2766	2.7849		3.9539	2.0092	4.7339	3.2780	0.9959
O6	3.6938	1.3281	2.7849	2.2766	3.9539		4.7339	2.0092	0.9959	3.2780
H7	1.1044	5.0002	2.0402	4.4260	2.0092	4.7339		6.1041	3.7927	2.8576
H8	5.0002	1.1044	4.4260	2.0402	4.7339	2.0092	6.1041		2.8576	3.7927
H9	2.7962	1.9218	1.8021	2.4071	3.2780	0.9959	3.7927	2.8576		2.8000
H10	1.9218	2.7962	2.4071	1.8021	0.9959	3.2780	2.8576	3.7927	2.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.375	C1	O5	H10	110.759
C2	O4	H10	134.375	C2	O6	H9	110.759
O3	C1	O5	126.437	O3	C1	H7	122.521
O3	H9	O6	168.429	O4	C2	O6	126.437
O4	C2	H8	122.521	O4	H10	O5	168.429
O5	C1	H7	111.042	O6	C2	H8	111.042

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

using model chemistry: BLYP/TZVP

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	0.220
2	C	0.220
3	O	-0.376
4	O	-0.376
5	O	-0.242
6	O	-0.242
7	H	0.111
8	H	0.111
9	H	0.287
10	H	0.287

	x	y	z
x	7.238	-0.639	0.000
y	-0.639	7.635	0.000
z	0.000	0.000	3.534

<r²>	187.986
(<r²>)^1/2	13.711

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

using model chemistry: BLYP/TZVP

States and conformations

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