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	hartrees
Energy at 0K	-377.664112
Energy at 298.15K	-377.669905
HF Energy	-377.664112
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	235.146721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3819	3469	0.00
2	A_g	3267	2968	0.00
3	A_g	1927	1750	0.00
4	A_g	1563	1420	0.00
5	A_g	1520	1380	0.00
6	A_g	1347	1223	0.00
7	A_g	737	669	0.00
8	A_g	179	162	0.00
9	A_g	164	149	0.00
10	A_u	1213	1102	0.05
11	A_u	958	871	347.52
12	A_u	167	152	11.03
13	A_u	75	68	3.81
14	B_g	1210	1100	0.00
15	B_g	910	827	0.00
16	B_g	244	221	0.00
17	B_u	3865	3511	1385.93
18	B_u	3264	2965	157.69
19	B_u	1979	1798	1095.23
20	B_u	1553	1411	21.59
21	B_u	1499	1362	66.24
22	B_u	1350	1227	487.65
23	B_u	750	682	89.45
24	B_u	219	199	42.22

Atom	x (Å)	y (Å)
C1	1.628	-1.078
C2	-1.628	1.078
O3	1.628	0.111
O4	-1.628	-0.111
O5	0.577	-1.840
O6	-0.577	1.840
H7	2.543	-1.662
H8	-2.543	1.662
H9	0.227	1.316
H10	-0.227	-1.316

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.9053	1.1899	3.3963	1.2980	3.6573	1.0850	4.9902	2.7739	1.8704
C2	3.9053		3.3963	1.1899	3.6573	1.2980	4.9902	1.0850	1.8704	2.7739
O3	1.1899	3.3963		3.2633	2.2164	2.8013	1.9954	4.4493	1.8472	2.3408
O4	3.3963	1.1899	3.2633		2.8013	2.2164	4.4493	1.9954	2.3408	1.8472
O5	1.2980	3.6573	2.2164	2.8013		3.8561	1.9740	4.6895	3.1750	0.9596
O6	3.6573	1.2980	2.8013	2.2164	3.8561		4.6895	1.9740	0.9596	3.1750
H7	1.0850	4.9902	1.9954	4.4493	1.9740	4.6895		6.0751	3.7720	2.7915
H8	4.9902	1.0850	4.4493	1.9954	4.6895	1.9740	6.0751		2.7915	3.7720
H9	2.7739	1.8704	1.8472	2.3408	3.1750	0.9596	3.7720	2.7915		2.6709
H10	1.8704	2.7739	2.3408	1.8472	0.9596	3.1750	2.7915	3.7720	2.6709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	130.697	C1	O5	H10	110.999
C2	O4	H10	130.697	C2	O6	H9	110.999
O3	C1	O5	125.917	O3	C1	H7	122.531
O3	H9	O6	172.387	O4	C2	O6	125.917
O4	C2	H8	122.531	O4	H10	O5	172.387
O5	C1	H7	111.552	O6	C2	H8	111.552

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

using model chemistry: HF/6-311G**

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	0.459
2	C	0.459
3	O	-0.504
4	O	-0.504
5	O	-0.382
6	O	-0.382
7	H	0.104
8	H	0.104
9	H	0.323
10	H	0.323

	x	y	z
x	5.160	-0.461	0.000
y	-0.461	5.915	0.000
z	0.000	0.000	2.687

<r²>	190.566
(<r²>)^1/2	13.805

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

using model chemistry: HF/6-311G**

States and conformations

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