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	hartrees
Energy at 0K	-377.011429
Energy at 298.15K	-377.017781
HF Energy	-376.771589
Nuclear repulsion energy	235.685770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3160	3008	0.00
2	A_g	2455	2337	0.00
3	A_g	1636	1558	0.00
4	A_g	1499	1427	0.00
5	A_g	1432	1364	0.00
6	A_g	1251	1191	0.00
7	A_g	684	651	0.00
8	A_g	279	265	0.00
9	A_g	191	182	0.00
10	A_u	1218	1159	311.09
11	A_u	1054	1003	73.84
12	A_u	216	205	11.74
13	A_u	95	91	0.58
14	B_g	1164	1108	0.00
15	B_g	1072	1020	0.00
16	B_g	313	298	0.00
17	B_u	3159	3007	43.06
18	B_u	2690	2561	3346.47
19	B_u	1682	1601	498.83
20	B_u	1511	1439	99.67
21	B_u	1453	1383	104.92
22	B_u	1244	1184	231.54
23	B_u	730	695	19.23
24	B_u	392	373	90.93

Atom	x (Å)	y (Å)
C1	1.920	-0.214
C2	-1.920	0.214
O3	1.345	0.877
O4	-1.345	-0.877
O5	1.345	-1.424
O6	-1.345	1.424
H7	3.007	-0.310
H8	-3.007	0.310
H9	-0.343	1.390
H10	0.343	-1.390

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8633	1.2337	3.3311	1.3391	3.6526	1.0915	4.9546	2.7737	1.9673
C2	3.8633		3.3311	1.2337	3.6526	1.3391	4.9546	1.0915	1.9673	2.7737
O3	1.2337	3.3311		3.2110	2.3009	2.7446	2.0426	4.3887	1.7637	2.4791
O4	3.3311	1.2337	3.2110		2.7446	2.3009	4.3887	2.0426	2.4791	1.7637
O5	1.3391	3.6526	2.3009	2.7446		3.9171	2.0010	4.6845	3.2814	1.0028
O6	3.6526	1.3391	2.7446	2.3009	3.9171		4.6845	2.0010	1.0028	3.2814
H7	1.0915	4.9546	2.0426	4.3887	2.0010	4.6845		6.0460	3.7565	2.8752
H8	4.9546	1.0915	4.3887	2.0426	4.6845	2.0010	6.0460		2.8752	3.7565
H9	2.7737	1.9673	1.7637	2.4791	3.2814	1.0028	3.7565	2.8752		2.8640
H10	1.9673	2.7737	2.4791	1.7637	1.0028	3.2814	2.8752	3.7565	2.8640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.698	C1	O5	H10	113.513
C2	O4	H10	134.698	C2	O6	H9	113.513
O3	C1	O5	126.798	O3	C1	H7	122.793
O3	H9	O6	164.991	O4	C2	O6	126.798
O4	C2	H8	122.793	O4	H10	O5	164.991
O5	C1	H7	110.408	O6	C2	H8	110.408

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C2H4O4 (Formic acid dimer)

using model chemistry: B2PLYP=FULL/3-21G

States and conformations

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