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	hartrees
Energy at 0K	-379.553699
Energy at 298.15K	-379.559745
HF Energy	-379.553699
Nuclear repulsion energy	236.680354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3104	2976	0.00
2	A_g	2855	2737	0.00
3	A_g	1698	1628	0.00
4	A_g	1507	1444	0.00
5	A_g	1417	1359	0.00
6	A_g	1283	1230	0.00
7	A_g	682	654	0.00
8	A_g	223	213	0.00
9	A_g	184	176	0.00
10	A_u	1131	1084	141.21
11	A_u	1016	974	104.93
12	A_u	195	187	8.70
13	A_u	79	76	1.79
14	B_g	1084	1039	0.00
15	B_g	1021	978	0.00
16	B_g	287	275	0.00
17	B_u	3111	2982	29.45
18	B_u	2999	2875	3138.37
19	B_u	1789	1715	720.07
20	B_u	1468	1408	2.48
21	B_u	1415	1356	58.92
22	B_u	1283	1230	289.15
23	B_u	728	698	36.90
24	B_u	312	299	85.22

Atom	x (Å)	y (Å)
C1	-1.814	0.006
C2	1.814	-0.006
O3	-1.248	1.118
O4	1.248	-1.118
O5	-1.248	-1.155
O6	1.248	1.155
H7	-2.908	-0.039
H8	2.908	0.039
H9	0.184	1.122
H10	-0.184	-1.122

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.6287	1.2477	3.2619	1.2912	3.2710	1.0948	4.7227	2.2894	1.9821
C2	3.6287		3.2619	1.2477	3.2710	1.2912	4.7227	1.0948	1.9821	2.2894
O3	1.2477	3.2619		3.3506	2.2723	2.4965	2.0231	4.2941	1.4325	2.4794
O4	3.2619	1.2477	3.3506		2.4965	2.2723	4.2941	2.0231	2.4794	1.4325
O5	1.2912	3.2710	2.2723	2.4965		3.4008	2.0005	4.3243	2.6900	1.0643
O6	3.2710	1.2912	2.4965	2.2723	3.4008		4.3243	2.0005	1.0643	2.6900
H7	1.0948	4.7227	2.0231	4.2941	2.0005	4.3243		5.8170	3.3033	2.9315
H8	4.7227	1.0948	4.2941	2.0231	4.3243	2.0005	5.8170		2.9315	3.3033
H9	2.2894	1.9821	1.4325	2.4794	2.6900	1.0643	3.3033	2.9315		2.2743
H10	1.9821	2.2894	2.4794	1.4325	1.0643	2.6900	2.9315	3.3033	2.2743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	117.171	C1	O5	H10	114.249
C2	O4	H10	117.171	C2	O6	H9	114.249
O3	C1	O5	127.002	O3	C1	H7	119.307
O3	H9	O6	178.422	O4	C2	O6	127.002
O4	C2	H8	119.307	O4	H10	O5	178.422
O5	C1	H7	113.691	O6	C2	H8	113.691

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

using model chemistry: TPSSh/6-31G**

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	0.433
2	C	0.433
3	O	-0.493
4	O	-0.493
5	O	-0.467
6	O	-0.467
7	H	0.139
8	H	0.139
9	H	0.389
10	H	0.389

	x	y	z
x	6.446	0.714	0.000
y	0.714	6.478	0.000
z	0.000	0.000	2.590

<r²>	179.661
(<r²>)^1/2	13.404

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

using model chemistry: TPSSh/6-31G**

States and conformations

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