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	hartrees
Energy at 0K	-377.525632
Energy at 298.15K	-377.532023
HF Energy	-377.525632
Nuclear repulsion energy	239.841383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3101	3038	0.00
2	A_g	1803	1766	0.00
3	A_g	1575	1543	0.00
4	A_g	1391	1362	0.00
5	A_g	1334	1307	0.00
6	A_g	1049	1028	0.00
7	A_g	672	659	0.00
8	A_g	324	317	0.00
9	A_g	158	155	0.00
10	A_u	1265	1239	351.88
11	A_u	1017	996	11.51
12	A_u	218	213	13.50
13	A_u	103	101	0.30
14	B_g	1212	1188	0.00
15	B_g	1027	1006	0.00
16	B_g	304	298	0.00
17	B_u	3098	3035	52.17
18	B_u	2022	1981	4870.03
19	B_u	1673	1639	576.59
20	B_u	1465	1435	285.93
21	B_u	1373	1346	80.76
22	B_u	1311	1285	104.59
23	B_u	743	728	13.44
24	B_u	486	476	84.65

Atom	x (Å)	y (Å)
C1	1.915	-0.218
C2	-1.915	0.218
O3	1.337	0.871
O4	-1.337	-0.871
O5	1.337	-1.415
O6	-1.337	1.415
H7	3.015	-0.306
H8	-3.015	0.306
H9	-0.333	1.389
H10	0.333	-1.389

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8554	1.2330	3.3178	1.3298	3.6398	1.1033	4.9582	2.7629	1.9687
C2	3.8554		3.3178	1.2330	3.6398	1.3298	4.9582	1.1033	1.9687	2.7629
O3	1.2330	3.3178		3.1926	2.2869	2.7297	2.0495	4.3892	1.7483	2.4733
O4	3.3178	1.2330	3.1926		2.7297	2.2869	4.3892	2.0495	2.4733	1.7483
O5	1.3298	3.6398	2.2869	2.7297		3.8948	2.0115	4.6806	3.2637	1.0052
O6	3.6398	1.3298	2.7297	2.2869	3.8948		4.6806	2.0115	1.0052	3.2637
H7	1.1033	4.9582	2.0495	4.3892	2.0115	4.6806		6.0612	3.7521	2.8929
H8	4.9582	1.1033	4.3892	2.0495	4.6806	2.0115	6.0612		2.8929	3.7521
H9	2.7629	1.9687	1.7483	2.4733	3.2637	1.0052	3.7521	2.8929		2.8557
H10	1.9687	2.7629	2.4733	1.7483	1.0052	3.2637	2.8929	3.7521	2.8557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.156	C1	O5	H10	114.225
C2	O4	H10	135.156	C2	O6	H9	114.225
O3	C1	O5	126.293	O3	C1	H7	122.524
O3	H9	O6	164.325	O4	C2	O6	126.293
O4	C2	H8	122.524	O4	H10	O5	164.325
O5	C1	H7	111.183	O6	C2	H8	111.183

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

using model chemistry: LSDA/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	0.289
2	C	0.289
3	O	-0.449
4	O	-0.449
5	O	-0.463
6	O	-0.463
7	H	0.208
8	H	0.208
9	H	0.416
10	H	0.416

	x	y	z
x	6.930	-0.220	0.000
y	-0.220	5.934	0.000
z	0.000	0.000	2.159

<r²>	170.865
(<r²>)^1/2	13.072

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

using model chemistry: LSDA/6-31G

States and conformations

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