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	hartrees
Energy at 0K	-379.322303
Energy at 298.15K	-379.328291
HF Energy	-379.322303
Nuclear repulsion energy	237.336058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3095	2971	0.00
2	A_g	3043	2922	0.00
3	A_g	1732	1663	0.00
4	A_g	1486	1427	0.00
5	A_g	1417	1360	0.00
6	A_g	1287	1236	0.00
7	A_g	698	670	0.00
8	A_g	218	209	0.00
9	A_g	176	169	0.00
10	A_u	1114	1070	92.61
11	A_u	1016	975	161.40
12	A_u	187	180	9.94
13	A_u	79	76	2.45
14	B_g	1087	1044	0.00
15	B_g	994	954	0.00
16	B_g	266	255	0.00
17	B_u	3171	3044	2074.30
18	B_u	3082	2959	725.58
19	B_u	1810	1737	864.46
20	B_u	1458	1400	1.28
21	B_u	1416	1359	61.91
22	B_u	1287	1236	339.78
23	B_u	731	702	42.97
24	B_u	291	279	77.60

Atom	x (Å)	y (Å)
C1	1.575	-1.120
C2	-1.575	1.120
O3	1.575	0.088
O4	-1.575	-0.088
O5	0.515	-1.890
O6	-0.515	1.890
H7	2.500	-1.712
H8	-2.500	1.712
H9	0.303	1.341
H10	-0.303	-1.341

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8659	1.2079	3.3154	1.3103	3.6649	1.0983	4.9631	2.7712	1.8908
C2	3.8659		3.3154	1.2079	3.6649	1.3103	4.9631	1.0983	1.8908	2.7712
O3	1.2079	3.3154		3.1554	2.2440	2.7601	2.0238	4.3874	1.7866	2.3598
O4	3.3154	1.2079	3.1554		2.7601	2.2440	4.3874	2.0238	2.3598	1.7866
O5	1.3103	3.6649	2.2440	2.7601		3.9181	1.9931	4.6978	3.2386	0.9846
O6	3.6649	1.3103	2.7601	2.2440	3.9181		4.6978	1.9931	0.9846	3.2386
H7	1.0983	4.9631	2.0238	4.3874	1.9931	4.6978		6.0607	3.7624	2.8271
H8	4.9631	1.0983	4.3874	2.0238	4.6978	1.9931	6.0607		2.8271	3.7624
H9	2.7712	1.8908	1.7866	2.3598	3.2386	0.9846	3.7624	2.8271		2.7504
H10	1.8908	2.7712	2.3598	1.7866	0.9846	3.2386	2.8271	3.7624	2.7504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.570	C1	O5	H10	110.149
C2	O4	H10	134.570	C2	O6	H9	110.149
O3	C1	O5	125.988	O3	C1	H7	122.630
O3	H9	O6	169.293	O4	C2	O6	125.988
O4	C2	H8	122.630	O4	H10	O5	169.293
O5	C1	H7	111.382	O6	C2	H8	111.382

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

using model chemistry: HSEh1PBE/TZVP

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	0.250
2	C	0.250
3	O	-0.406
4	O	-0.406
5	O	-0.251
6	O	-0.251
7	H	0.112
8	H	0.112
9	H	0.295
10	H	0.295

	x	y	z
x	6.581	-0.535	0.000
y	-0.535	7.105	0.000
z	0.000	0.000	3.347

<r²>	181.086
(<r²>)^1/2	13.457

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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