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	hartrees
Energy at 0K	-375.443169
Energy at 298.15K	-375.449442
HF Energy	-375.443169
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	237.394551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3341	3025	0.00
2	A_g	3217	2913	0.00
3	A_g	1821	1649	0.00
4	A_g	1595	1444	0.00
5	A_g	1548	1402	0.00
6	A_g	1333	1207	0.00
7	A_g	732	663	0.00
8	A_g	250	226	0.00
9	A_g	184	166	0.00
10	A_u	1231	1115	44.02
11	A_u	1120	1015	524.66
12	A_u	206	186	23.27
13	A_u	96	87	1.27
14	B_g	1218	1103	0.00
15	B_g	1079	977	0.00
16	B_g	293	265	0.00
17	B_u	3368	3050	841.73
18	B_u	3309	2996	1645.57
19	B_u	1880	1703	841.78
20	B_u	1569	1421	4.02
21	B_u	1543	1398	217.21
22	B_u	1324	1199	472.25
23	B_u	760	688	60.09
24	B_u	328	297	77.34

Atom	x (Å)	y (Å)
C1	1.872	-0.135
C2	-1.872	0.135
O3	1.295	0.940
O4	-1.295	-0.940
O5	1.295	-1.313
O6	-1.295	1.313
H7	2.943	-0.209
H8	-2.943	0.209
H9	-0.297	1.296
H10	0.297	-1.296

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7535	1.2197	3.2680	1.3118	3.4823	1.0737	4.8272	2.5978	1.9571
C2	3.7535		3.2680	1.2197	3.4823	1.3118	4.8272	1.0737	1.9571	2.5978
O3	1.2197	3.2680		3.2009	2.2530	2.6172	2.0086	4.3010	1.6311	2.4489
O4	3.2680	1.2197	3.2009		2.6172	2.2530	4.3010	2.0086	2.4489	1.6311
O5	1.3118	3.4823	2.2530	2.6172		3.6886	1.9837	4.5032	3.0561	0.9989
O6	3.4823	1.3118	2.6172	2.2530	3.6886		4.5032	1.9837	0.9989	3.0561
H7	1.0737	4.8272	2.0086	4.3010	1.9837	4.5032		5.9009	3.5719	2.8612
H8	4.8272	1.0737	4.3010	2.0086	4.5032	1.9837	5.9009		2.8612	3.5719
H9	2.5978	1.9571	1.6311	2.4489	3.0561	0.9989	3.5719	2.8612		2.6588
H10	1.9571	2.5978	2.4489	1.6311	0.9989	3.0561	2.8612	3.5719	2.6588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	130.815	C1	O5	H10	115.101
C2	O4	H10	130.815	C2	O6	H9	115.101
O3	C1	O5	125.709	O3	C1	H7	122.157
O3	H9	O6	168.375	O4	C2	O6	125.709
O4	C2	H8	122.157	O4	H10	O5	168.375
O5	C1	H7	112.133	O6	C2	H8	112.133

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

using model chemistry: HF/3-21G

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	0.680
2	C	0.680
3	O	-0.659
4	O	-0.659
5	O	-0.740
6	O	-0.740
7	H	0.246
8	H	0.246
9	H	0.473
10	H	0.473

	x	y	z
x	5.161	-0.527	0.000
y	-0.527	4.747	0.000
z	0.000	0.000	1.535

<r²>	179.714
(<r²>)^1/2	13.406

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

using model chemistry: HF/3-21G

States and conformations

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