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	hartrees
Energy at 0K	-378.958716
Energy at 298.15K	-378.964640
HF Energy	-378.718218
Nuclear repulsion energy	232.030956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3209	3209	0.00
2	A_g	3015	3015	0.00
3	A_g	1631	1631	0.00
4	A_g	1464	1464	0.00
5	A_g	1413	1413	0.00
6	A_g	1206	1206	0.00
7	A_g	656	656	0.00
8	A_g	223	223	0.00
9	A_g	174	174	0.00
10	A_u	1115	1115	203.41
11	A_u	987	987	235.36
12	A_u	187	187	9.79
13	A_u	89	89	1.49
14	B_g	1078	1078	0.00
15	B_g	979	979	0.00
16	B_g	272	272	0.00
17	B_u	3214	3214	24.90
18	B_u	3127	3127	2103.98
19	B_u	1668	1668	577.65
20	B_u	1452	1452	14.24
21	B_u	1413	1413	121.67
22	B_u	1200	1200	338.23
23	B_u	683	683	40.61
24	B_u	288	288	63.38

Atom	x (Å)	y (Å)
C1	1.609	-1.100
C2	-1.609	1.100
O3	1.609	0.139
O4	-1.609	-0.139
O5	0.523	-1.888
O6	-0.523	1.888
H7	2.529	-1.688
H8	-2.529	1.688
H9	0.346	1.405
H10	-0.346	-1.405

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8973	1.2383	3.3580	1.3421	3.6699	1.0920	4.9889	2.8048	1.9786
C2	3.8973		3.3580	1.2383	3.6699	1.3421	4.9889	1.0920	1.9786	2.8048
O3	1.2383	3.3580		3.2296	2.2994	2.7573	2.0455	4.4180	1.7882	2.4908
O4	3.3580	1.2383	3.2296		2.7573	2.2994	4.4180	2.0455	2.4908	1.7882
O5	1.3421	3.6699	2.2994	2.7573		3.9179	2.0158	4.7010	3.2976	0.9940
O6	3.6699	1.3421	2.7573	2.2994	3.9179		4.7010	2.0158	0.9940	3.2976
H7	1.0920	4.9889	2.0455	4.4180	2.0158	4.7010		6.0807	3.7856	2.8885
H8	4.9889	1.0920	4.4180	2.0455	4.7010	2.0158	6.0807		2.8885	3.7856
H9	2.8048	1.9786	1.7882	2.4908	3.2976	0.9940	3.7856	2.8885		2.8937
H10	1.9786	2.8048	2.4908	1.7882	0.9940	3.2976	2.8885	3.7856	2.8937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.075	C1	O5	H10	114.946
C2	O4	H10	135.075	C2	O6	H9	114.946
O3	C1	O5	125.975	O3	C1	H7	122.621
O3	H9	O6	164.004	O4	C2	O6	125.975
O4	C2	H8	122.621	O4	H10	O5	164.004
O5	C1	H7	111.404	O6	C2	H8	111.404

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

using model chemistry: B2PLYP/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	0.406
2	C	0.406
3	O	-0.476
4	O	-0.476
5	O	-0.558
6	O	-0.558
7	H	0.185
8	H	0.185
9	H	0.442
10	H	0.442

	x	y	z
x	6.317	-0.514	0.000
y	-0.514	6.143	0.000
z	0.000	0.000	2.056

<r²>	187.761
(<r²>)^1/2	13.703

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

using model chemistry: B2PLYP/6-31G

States and conformations

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