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	hartrees
Energy at 0K	-379.491066
Energy at 298.15K	-379.496993
HF Energy	-379.491066
Nuclear repulsion energy	236.022670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2997	2958	0.00
2	A_g	2858	2821	0.00
3	A_g	1640	1618	0.00
4	A_g	1466	1447	0.00
5	A_g	1373	1355	0.00
6	A_g	1228	1212	0.00
7	A_g	677	668	0.00
8	A_g	213	211	0.00
9	A_g	180	177	0.00
10	A_u	1100	1086	121.55
11	A_u	999	986	51.68
12	A_u	188	186	9.20
13	A_u	68	67	2.14
14	B_g	1059	1046	0.00
15	B_g	1000	987	0.00
16	B_g	262	259	0.00
17	B_u	3024	2985	820.97
18	B_u	2960	2921	2242.44
19	B_u	1722	1700	752.69
20	B_u	1437	1418	0.22
21	B_u	1374	1356	37.02
22	B_u	1233	1217	299.75
23	B_u	717	708	29.80
24	B_u	293	289	82.33

Atom	x (Å)	y (Å)
C1	1.642	-0.932
C2	-1.642	0.932
O3	1.642	0.293
O4	-1.642	-0.293
O5	0.589	-1.718
O6	-0.589	1.718
H7	2.580	-1.508
H8	-2.580	1.508
H9	0.262	1.169
H10	-0.262	-1.169

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7763	1.2251	3.3455	1.3133	3.4643	1.1007	4.8765	2.5142	1.9182
C2	3.7763		3.3455	1.2251	3.4643	1.3133	4.8765	1.1007	1.9182	2.5142
O3	1.2251	3.3455		3.3355	2.2693	2.6475	2.0307	4.3933	1.6350	2.4000
O4	3.3455	1.2251	3.3355		2.6475	2.2693	4.3933	2.0307	2.4000	1.6350
O5	1.3133	3.4643	2.2693	2.6475		3.6320	2.0015	4.5223	2.9053	1.0125
O6	3.4643	1.3133	2.6475	2.2693	3.6320		4.5223	2.0015	1.0125	2.9053
H7	1.1007	4.8765	2.0307	4.3933	2.0015	4.5223		5.9769	3.5416	2.8617
H8	4.8765	1.1007	4.3933	2.0307	4.5223	2.0015	5.9769		2.8617	3.5416
H9	2.5142	1.9182	1.6350	2.4000	2.9053	1.0125	3.5416	2.8617		2.3960
H10	1.9182	2.5142	2.4000	1.6350	1.0125	2.9053	2.8617	3.5416	2.3960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	133.712	C1	O5	H10	109.986
C2	O4	H10	133.712	C2	O6	H9	109.986
O3	C1	O5	126.291	O3	C1	H7	122.639
O3	H9	O6	170.011	O4	C2	O6	126.291
O4	C2	H8	122.639	O4	H10	O5	170.011
O5	C1	H7	111.070	O6	C2	H8	111.070

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.656
2	C	0.656
3	O	-0.703
4	O	-0.703
5	O	-0.604
6	O	-0.604
7	H	0.116
8	H	0.116
9	H	0.534
10	H	0.534

	x	y	z
x	8.018	-0.599	0.000
y	-0.599	8.091	0.000
z	0.000	0.000	4.436

<r²>	182.159
(<r²>)^1/2	13.497

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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