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	hartrees
Energy at 0K	-375.593973
Energy at 298.15K	-375.600633
HF Energy	-375.593973
Nuclear repulsion energy	240.247540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3032	2982	0.00
2	A_g	1786	1756	0.00
3	A_g	1602	1576	0.00
4	A_g	1411	1388	0.00
5	A_g	1343	1321	0.00
6	A_g	806	793	0.00
7	A_g	719	707	0.00
8	A_g	484	477	0.00
9	A_g	177	174	0.00
10	A_u	1308	1287	323.77
11	A_u	1035	1018	7.16
12	A_u	226	222	11.49
13	A_u	99	98	0.00
14	B_g	1265	1245	0.00
15	B_g	1047	1030	0.00
16	B_g	325	320	0.00
17	B_u	3028	2979	68.52
18	B_u	1964	1932	5267.92
19	B_u	1691	1663	412.70
20	B_u	1497	1472	215.20
21	B_u	1396	1373	37.55
22	B_u	1333	1311	66.89
23	B_u	765	753	14.21
24	B_u	557	547	5.82

Atom	x (Å)	y (Å)
C1	1.791	-0.000
C2	-1.791	0.000
O3	1.225	1.147
O4	-1.225	-1.147
O5	1.225	-1.147
O6	-1.225	1.147
H7	2.893	-0.000
H8	-2.893	0.000
H9	-0.000	1.175
H10	0.000	-1.175

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.5817	1.2792	3.2260	1.2792	3.2264	1.1025	4.6842	2.1419	2.1414
C2	3.5817		3.2260	1.2792	3.2264	1.2792	4.6842	1.1025	2.1414	2.1419
O3	1.2792	3.2260		3.3554	2.2940	2.4491	2.0250	4.2745	1.2251	2.6244
O4	3.2260	1.2792	3.3554		2.4491	2.2940	4.2745	2.0250	2.6244	1.2251
O5	1.2792	3.2264	2.2940	2.4491		3.3561	2.0249	4.2748	2.6250	1.2247
O6	3.2264	1.2792	2.4491	2.2940	3.3561		4.2748	2.0249	1.2247	2.6250
H7	1.1025	4.6842	2.0250	4.2745	2.0249	4.2748		5.7867	3.1229	3.1224
H8	4.6842	1.1025	4.2745	2.0250	4.2748	2.0249	5.7867		3.1224	3.1229
H9	2.1419	2.1414	1.2251	2.6244	2.6250	1.2247	3.1229	3.1224		2.3491
H10	2.1414	2.1419	2.6244	1.2251	1.2247	2.6250	3.1224	3.1229	2.3491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	117.576	C1	O5	H10	117.551
C2	O4	H10	117.576	C2	O6	H9	117.551
O3	C1	O5	127.449	O3	C1	H7	116.278
O3	H9	O6	177.425	O4	C2	O6	127.449
O4	C2	H8	116.278	O4	H10	O5	177.425
O5	C1	H7	116.273	O6	C2	H8	116.273

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

using model chemistry: LSDA/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	0.350
2	C	0.350
3	O	-0.479
4	O	-0.479
5	O	-0.479
6	O	-0.479
7	H	0.240
8	H	0.240
9	H	0.368
10	H	0.368

	x	y	z
x	6.809	-0.001	0.000
y	-0.001	5.198	0.000
z	0.000	0.000	1.768

<r²>	169.556
(<r²>)^1/2	13.021

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

using model chemistry: LSDA/3-21G

States and conformations

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