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	hartrees
Energy at 0K	-379.399234
Energy at 298.15K	-379.405206
HF Energy	-379.399234
Nuclear repulsion energy	238.091921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3143	2987	0.00
2	A_g	2940	2794	0.00
3	A_g	1761	1673	0.00
4	A_g	1510	1435	0.00
5	A_g	1438	1366	0.00
6	A_g	1324	1258	0.00
7	A_g	703	668	0.00
8	A_g	199	189	0.00
9	A_g	159	151	0.00
10	A_u	1132	1076	83.31
11	A_u	1031	980	191.94
12	A_u	192	183	9.91
13	A_u	77	73	1.97
14	B_g	1103	1049	0.00
15	B_g	1011	961	0.00
16	B_g	286	272	0.00
17	B_u	3157	3000	269.09
18	B_u	3079	2926	3070.34
19	B_u	1857	1765	853.84
20	B_u	1464	1391	6.53
21	B_u	1438	1367	101.18
22	B_u	1320	1254	318.30
23	B_u	742	705	47.05
24	B_u	294	279	98.77

Atom	x (Å)	y (Å)
C1	1.571	-1.128
C2	-1.571	1.128
O3	1.571	0.084
O4	-1.571	-0.084
O5	0.510	-1.900
O6	-0.510	1.900
H7	2.498	-1.720
H8	-2.498	1.720
H9	0.304	1.348
H10	-0.304	-1.348

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8681	1.2115	3.3115	1.3129	3.6741	1.0995	4.9664	2.7810	1.8881
C2	3.8681		3.3115	1.2115	3.6741	1.3129	4.9664	1.0995	1.8881	2.7810
O3	1.2115	3.3115		3.1471	2.2502	2.7623	2.0279	4.3856	1.7899	2.3593
O4	3.3115	1.2115	3.1471		2.7623	2.2502	4.3856	2.0279	2.3593	1.7899
O5	1.3129	3.6741	2.2502	2.7623		3.9348	1.9958	4.7065	3.2545	0.9835
O6	3.6741	1.3129	2.7623	2.2502	3.9348		4.7065	1.9958	0.9835	3.2545
H7	1.0995	4.9664	2.0279	4.3856	1.9958	4.7065		6.0652	3.7715	2.8261
H8	4.9664	1.0995	4.3856	2.0279	4.7065	1.9958	6.0652		2.8261	3.7715
H9	2.7810	1.8881	1.7899	2.3593	3.2545	0.9835	3.7715	2.8261		2.7632
H10	1.8881	2.7810	2.3593	1.7899	0.9835	3.2545	2.8261	3.7715	2.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.919	C1	O5	H10	109.780
C2	O4	H10	134.919	C2	O6	H9	109.780
O3	C1	O5	126.048	O3	C1	H7	122.609
O3	H9	O6	169.253	O4	C2	O6	126.048
O4	C2	H8	122.609	O4	H10	O5	169.253
O5	C1	H7	111.343	O6	C2	H8	111.343

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

using model chemistry: M06-2X/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	0.467
2	C	0.467
3	O	-0.514
4	O	-0.514
5	O	-0.500
6	O	-0.500
7	H	0.140
8	H	0.140
9	H	0.406
10	H	0.406

	x	y	z
x	6.152	-0.695	0.000
y	-0.695	6.351	0.000
z	0.000	0.000	2.563

<r²>	178.292
(<r²>)^1/2	13.353

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

using model chemistry: M06-2X/6-31G**

States and conformations

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