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	hartrees
Energy at 0K	-377.079298
Energy at 298.15K	-377.085811
HF Energy	-377.079298
Nuclear repulsion energy	238.707285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3148	3032	0.00
2	A_g	2115	2037	0.00
3	A_g	1643	1583	0.00
4	A_g	1477	1423	0.00
5	A_g	1370	1320	0.00
6	A_g	1303	1255	0.00
7	A_g	698	673	0.00
8	A_g	312	301	0.00
9	A_g	190	183	0.00
10	A_u	1271	1225	352.86
11	A_u	1074	1034	38.13
12	A_u	224	216	15.03
13	A_u	99	96	0.47
14	B_g	1220	1175	0.00
15	B_g	1088	1048	0.00
16	B_g	320	308	0.00
17	B_u	3146	3030	56.25
18	B_u	2398	2310	4282.22
19	B_u	1722	1659	572.68
20	B_u	1524	1468	198.39
21	B_u	1442	1389	89.65
22	B_u	1305	1257	191.38
23	B_u	756	729	15.05
24	B_u	456	439	101.49

Atom	x (Å)	y (Å)
C1	1.913	-0.213
C2	-1.913	0.213
O3	1.340	0.873
O4	-1.340	-0.873
O5	1.340	-1.415
O6	-1.340	1.415
H7	3.003	-0.308
H8	-3.003	0.308
H9	-0.336	1.381
H10	0.336	-1.381

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8499	1.2281	3.3191	1.3317	3.6374	1.0935	4.9432	2.7569	1.9625
C2	3.8499		3.3191	1.2281	3.6374	1.3317	4.9432	1.0935	1.9625	2.7569
O3	1.2281	3.3191		3.1980	2.2879	2.7336	2.0396	4.3788	1.7512	2.4674
O4	3.3191	1.2281	3.1980		2.7336	2.2879	4.3788	2.0396	2.4674	1.7512
O5	1.3317	3.6374	2.2879	2.7336		3.8970	1.9976	4.6715	3.2598	1.0040
O6	3.6374	1.3317	2.7336	2.2879	3.8970		4.6715	1.9976	1.0040	3.2598
H7	1.0935	4.9432	2.0396	4.3788	1.9976	4.6715		6.0365	3.7417	2.8742
H8	4.9432	1.0935	4.3788	2.0396	4.6715	1.9976	6.0365		2.8742	3.7417
H9	2.7569	1.9625	1.7512	2.4674	3.2598	1.0040	3.7417	2.8742		2.8429
H10	1.9625	2.7569	2.4674	1.7512	1.0040	3.2598	2.8742	3.7417	2.8429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.705	C1	O5	H10	113.579
C2	O4	H10	134.705	C2	O6	H9	113.579
O3	C1	O5	126.657	O3	C1	H7	122.822
O3	H9	O6	165.059	O4	C2	O6	126.657
O4	C2	H8	122.822	O4	H10	O5	165.059
O5	C1	H7	110.521	O6	C2	H8	110.521

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

using model chemistry: HSEh1PBE/3-21G

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	0.457
2	C	0.457
3	O	-0.535
4	O	-0.535
5	O	-0.577
6	O	-0.577
7	H	0.245
8	H	0.245
9	H	0.410
10	H	0.410

	x	y	z
x	6.308	-0.340	0.000
y	-0.340	5.155	0.000
z	0.000	0.000	1.703

<r²>	173.167
(<r²>)^1/2	13.159

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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