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	hartrees
Energy at 0K	-377.822250
Energy at 298.15K	-377.828618
HF Energy	-377.822250
Nuclear repulsion energy	242.313728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2993	2958	0.00
2	A_g	2032	2008	0.00
3	A_g	1555	1537	0.00
4	A_g	1420	1404	0.00
5	A_g	1363	1347	0.00
6	A_g	1278	1263	0.00
7	A_g	703	695	0.00
8	A_g	305	302	0.00
9	A_g	173	171	0.00
10	A_u	1227	1213	205.29
11	A_u	1016	1004	7.46
12	A_u	211	209	12.08
13	A_u	83	82	0.78
14	B_g	1175	1162	0.00
15	B_g	1022	1010	0.00
16	B_g	289	286	0.00
17	B_u	2991	2957	43.45
18	B_u	2249	2223	5198.13
19	B_u	1746	1726	849.94
20	B_u	1453	1436	34.77
21	B_u	1376	1360	79.57
22	B_u	1323	1308	157.09
23	B_u	764	755	16.25
24	B_u	450	445	123.57

Atom	x (Å)	y (Å)
C1	1.565	-1.115
C2	-1.565	1.115
O3	1.565	0.095
O4	-1.565	-0.095
O5	0.508	-1.886
O6	-0.508	1.886
H7	2.498	-1.712
H8	-2.498	1.712
H9	0.321	1.332
H10	-0.321	-1.332

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8437	1.2104	3.2924	1.3082	3.6474	1.1077	4.9504	2.7453	1.8984
C2	3.8437		3.2924	1.2104	3.6474	1.3082	4.9504	1.1077	1.8984	2.7453
O3	1.2104	3.2924		3.1362	2.2453	2.7393	2.0341	4.3734	1.7544	2.3651
O4	3.2924	1.2104	3.1362		2.7393	2.2453	4.3734	2.0341	2.3651	1.7544
O5	1.3082	3.6474	2.2453	2.7393		3.9058	1.9979	4.6885	3.2229	0.9968
O6	3.6474	1.3082	2.7393	2.2453	3.9058		4.6885	1.9979	0.9968	3.2229
H7	1.1077	4.9504	2.0341	4.3734	1.9979	4.6885		6.0574	3.7427	2.8446
H8	4.9504	1.1077	4.3734	2.0341	4.6885	1.9979	6.0574		2.8446	3.7427
H9	2.7453	1.8984	1.7544	2.3651	3.2229	0.9968	3.7427	2.8446		2.7399
H10	1.8984	2.7453	2.3651	1.7544	0.9968	3.2229	2.8446	3.7427	2.7399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.822	C1	O5	H10	110.165
C2	O4	H10	134.822	C2	O6	H9	110.165
O3	C1	O5	126.081	O3	C1	H7	122.616
O3	H9	O6	168.932	O4	C2	O6	126.081
O4	C2	H8	122.616	O4	H10	O5	168.932
O5	C1	H7	111.303	O6	C2	H8	111.303

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

using model chemistry: LSDA/TZVP

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	0.179
2	C	0.179
3	O	-0.345
4	O	-0.345
5	O	-0.236
6	O	-0.236
7	H	0.146
8	H	0.146
9	H	0.256
10	H	0.256

	x	y	z
x	7.930	-0.325	0.000
y	-0.325	6.741	0.000
z	0.000	0.000	3.495

<r²>	169.468
(<r²>)^1/2	13.018

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

using model chemistry: LSDA/TZVP

States and conformations

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