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	hartrees
Energy at 0K	-379.259110
Energy at 298.15K	-379.265199
HF Energy	-379.259110
Nuclear repulsion energy	235.034168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3191	3056	0.00
2	A_g	2765	2648	0.00
3	A_g	1646	1576	0.00
4	A_g	1479	1417	0.00
5	A_g	1410	1350	0.00
6	A_g	1251	1198	0.00
7	A_g	670	641	0.00
8	A_g	238	228	0.00
9	A_g	182	174	0.00
10	A_u	1148	1099	296.17
11	A_u	1022	979	132.04
12	A_u	199	191	12.27
13	A_u	94	90	1.55
14	B_g	1097	1050	0.00
15	B_g	1029	985	0.00
16	B_g	284	272	0.00
17	B_u	3191	3056	14.35
18	B_u	2929	2805	2796.47
19	B_u	1704	1632	651.10
20	B_u	1461	1400	54.78
21	B_u	1416	1356	110.54
22	B_u	1244	1192	315.25
23	B_u	707	677	35.52
24	B_u	321	308	83.31

Atom	x (Å)	y (Å)
C1	1.603	-1.097
C2	-1.603	1.097
O3	1.603	0.136
O4	-1.603	-0.136
O5	0.522	-1.881
O6	-0.522	1.881
H7	2.524	-1.687
H8	-2.524	1.687
H9	0.347	1.396
H10	-0.347	-1.396

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8851	1.2330	3.3469	1.3351	3.6587	1.0934	4.9781	2.7916	1.9721
C2	3.8851		3.3469	1.2330	3.6587	1.3351	4.9781	1.0934	1.9721	2.7916
O3	1.2330	3.3469		3.2172	2.2881	2.7498	2.0419	4.4086	1.7793	2.4788
O4	3.3469	1.2330	3.2172		2.7498	2.2881	4.4086	2.0419	2.4788	1.7793
O5	1.3351	3.6587	2.2881	2.7498		3.9042	2.0113	4.6910	3.2813	0.9950
O6	3.6587	1.3351	2.7498	2.2881	3.9042		4.6910	2.0113	0.9950	3.2813
H7	1.0934	4.9781	2.0419	4.4086	2.0113	4.6910		6.0712	3.7737	2.8851
H8	4.9781	1.0934	4.4086	2.0419	4.6910	2.0113	6.0712		2.8851	3.7737
H9	2.7916	1.9721	1.7793	2.4788	3.2813	0.9950	3.7737	2.8851		2.8758
H10	1.9721	2.7916	2.4788	1.7793	0.9950	3.2813	2.8851	3.7737	2.8758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.081	C1	O5	H10	114.851
C2	O4	H10	135.081	C2	O6	H9	114.851
O3	C1	O5	125.940	O3	C1	H7	122.618
O3	H9	O6	164.127	O4	C2	O6	125.940
O4	C2	H8	122.618	O4	H10	O5	164.127
O5	C1	H7	111.442	O6	C2	H8	111.442

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

using model chemistry: B3PW91/6-31G

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	0.383
2	C	0.383
3	O	-0.490
4	O	-0.490
5	O	-0.545
6	O	-0.545
7	H	0.205
8	H	0.205
9	H	0.448
10	H	0.448

	x	y	z
x	6.373	-0.483	0.000
y	-0.483	5.930	0.000
z	0.000	0.000	2.091

<r²>	181.544
(<r²>)^1/2	13.474

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

using model chemistry: B3PW91/6-31G

States and conformations

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