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	hartrees
Energy at 0K	-379.742683
Energy at 298.15K	-379.748606
HF Energy	-379.742683
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	236.183325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3068	2973	0.00
2	A_g	3053	2958	0.00
3	A_g	1695	1642	0.00
4	A_g	1476	1430	0.00
5	A_g	1407	1363	0.00
6	A_g	1255	1216	0.00
7	A_g	690	669	0.00
8	A_g	210	204	0.00
9	A_g	175	170	0.00
10	A_u	1101	1067	55.93
11	A_u	1001	970	132.47
12	A_u	184	178	10.10
13	A_u	77	75	2.36
14	B_g	1080	1047	0.00
15	B_g	981	950	0.00
16	B_g	259	251	0.00
17	B_u	3173	3075	2180.39
18	B_u	3054	2959	482.10
19	B_u	1768	1713	817.53
20	B_u	1449	1404	0.90
21	B_u	1404	1361	47.13
22	B_u	1259	1220	341.50
23	B_u	724	701	37.83
24	B_u	279	271	73.40

Atom	x (Å)	y (Å)
C1	1.636	-0.964
C2	-1.636	0.964
O3	1.636	0.252
O4	-1.636	-0.252
O5	0.582	-1.740
O6	-0.582	1.740
H7	2.566	-1.542
H8	-2.566	1.542
H9	0.260	1.198
H10	-0.260	-1.198

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7988	1.2166	3.3495	1.3089	3.4974	1.0945	4.8932	2.5634	1.9106
C2	3.7988		3.3495	1.2166	3.4974	1.3089	4.8932	1.0945	1.9106	2.5634
O3	1.2166	3.3495		3.3116	2.2539	2.6707	2.0207	4.3961	1.6702	2.3874
O4	3.3495	1.2166	3.3116		2.6707	2.2539	4.3961	2.0207	2.3874	1.6702
O5	1.3089	3.4974	2.2539	2.6707		3.6686	1.9943	4.5472	2.9553	1.0008
O6	3.4974	1.3089	2.6707	2.2539	3.6686		4.5472	1.9943	1.0008	2.9553
H7	1.0945	4.8932	2.0207	4.3961	1.9943	4.5472		5.9876	3.5814	2.8469
H8	4.8932	1.0945	4.3961	2.0207	4.5472	1.9943	5.9876		2.8469	3.5814
H9	2.5634	1.9106	1.6702	2.3874	2.9553	1.0008	3.5814	2.8469		2.4519
H10	1.9106	2.5634	2.3874	1.6702	1.0008	2.9553	2.8469	3.5814	2.4519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	124.487	C1	O5	H10	110.925
C2	O4	H10	124.487	C2	O6	H9	110.925
O3	C1	O5	126.323	O3	C1	H7	121.835
O3	H9	O6	178.266	O4	C2	O6	126.323
O4	C2	H8	121.835	O4	H10	O5	178.266
O5	C1	H7	111.842	O6	C2	H8	111.842

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	0.175
2	C	0.175
3	O	-0.590
4	O	-0.590
5	O	-0.570
6	O	-0.570
7	H	0.699
8	H	0.699
9	H	0.287
10	H	0.287

	x	y	z
x	7.668	-0.505	0.000
y	-0.505	7.911	0.000
z	0.000	0.000	4.476

<r²>	183.324
(<r²>)^1/2	13.540

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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