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	hartrees
Energy at 0K	-379.555740
Energy at 298.15K	-379.561708
HF Energy	-379.555740
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	236.089033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3092	2971	0.00
2	A_g	3012	2894	0.00
3	A_g	1727	1659	0.00
4	A_g	1500	1442	0.00
5	A_g	1421	1365	0.00
6	A_g	1283	1233	0.00
7	A_g	689	662	0.00
8	A_g	210	202	0.00
9	A_g	180	173	0.00
10	A_u	1111	1067	85.95
11	A_u	1005	965	166.92
12	A_u	188	181	7.84
13	A_u	78	75	1.87
14	B_g	1080	1037	0.00
15	B_g	991	952	0.00
16	B_g	280	269	0.00
17	B_u	3156	3033	1826.35
18	B_u	3075	2955	992.35
19	B_u	1807	1736	729.64
20	B_u	1460	1403	2.59
21	B_u	1418	1363	61.02
22	B_u	1284	1233	311.89
23	B_u	728	699	41.01
24	B_u	289	277	76.53

Atom	x (Å)	y (Å)
C1	1.631	-0.950
C2	-1.631	0.950
O3	1.631	0.276
O4	-1.631	-0.276
O5	0.581	-1.734
O6	-0.581	1.734
H7	2.568	-1.523
H8	-2.568	1.523
H9	0.267	1.190
H10	-0.267	-1.190

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7747	1.2263	3.3306	1.3104	3.4782	1.0983	4.8729	2.5380	1.9128
C2	3.7747		3.3306	1.2263	3.4782	1.3104	4.8729	1.0983	1.9128	2.5380
O3	1.2263	3.3306		3.3082	2.2682	2.6492	2.0285	4.3799	1.6419	2.3984
O4	3.3306	1.2263	3.3082		2.6492	2.2682	4.3799	2.0285	2.3984	1.6419
O5	1.3104	3.4782	2.2682	2.6492		3.6581	1.9981	4.5305	2.9414	1.0074
O6	3.4782	1.3104	2.6492	2.2682	3.6581		4.5305	1.9981	1.0074	2.9414
H7	1.0983	4.8729	2.0285	4.3799	1.9981	4.5305		5.9710	3.5575	2.8542
H8	4.8729	1.0983	4.3799	2.0285	4.5305	1.9981	5.9710		2.8542	3.5575
H9	2.5380	1.9128	1.6419	2.3984	2.9414	1.0074	3.5575	2.8542		2.4397
H10	1.9128	2.5380	2.3984	1.6419	1.0074	2.9414	2.8542	3.5575	2.4397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	123.824	C1	O5	H10	110.553
C2	O4	H10	123.824	C2	O6	H9	110.553
O3	C1	O5	126.764	O3	C1	H7	121.434
O3	H9	O6	178.859	O4	C2	O6	126.764
O4	C2	H8	121.434	O4	H10	O5	178.859
O5	C1	H7	111.802	O6	C2	H8	111.802

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

using model chemistry: B3LYP/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	0.443
2	C	0.443
3	O	-0.478
4	O	-0.478
5	O	-0.455
6	O	-0.455
7	H	0.117
8	H	0.117
9	H	0.372
10	H	0.372

	x	y	z
x	6.322	-0.711	0.000
y	-0.711	6.416	0.000
z	0.000	0.000	2.566

<r²>	181.761
(<r²>)^1/2	13.482

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

using model chemistry: B3LYP/6-31G**

States and conformations

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