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	hartrees
Energy at 0K	-379.490375
Energy at 298.15K	-379.496247
HF Energy	-379.490375
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3010	2967	0.00
2	A_g	2874	2832	0.00
3	A_g	1646	1622	0.00
4	A_g	1451	1430	0.00
5	A_g	1376	1356	0.00
6	A_g	1220	1202	0.00
7	A_g	673	664	0.00
8	A_g	209	206	0.00
9	A_g	173	171	0.00
10	A_u	1084	1068	125.55
11	A_u	980	965	103.90
12	A_u	181	179	7.86
13	A_u	71	70	2.23
14	B_g	1046	1031	0.00
15	B_g	971	957	0.00
16	B_g	261	257	0.00
17	B_u	3034	2990	688.34
18	B_u	2973	2930	2228.01
19	B_u	1722	1698	754.63
20	B_u	1428	1408	1.43
21	B_u	1374	1354	41.52
22	B_u	1223	1205	315.73
23	B_u	709	699	32.24
24	B_u	284	280	79.18

Atom	x (Å)	y (Å)
C1	1.632	-0.961
C2	-1.632	0.961
O3	1.632	0.266
O4	-1.632	-0.266
O5	0.576	-1.749
O6	-0.576	1.749
H7	2.569	-1.539
H8	-2.569	1.539
H9	0.273	1.198
H10	-0.273	-1.198

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7880	1.2270	3.3372	1.3172	3.4962	1.1006	4.8884	2.5509	1.9200
C2	3.7880		3.3372	1.2270	3.4962	1.3172	4.8884	1.1006	1.9200	2.5509
O3	1.2270	3.3372		3.3069	2.2747	2.6604	2.0331	4.3895	1.6476	2.4026
O4	3.3372	1.2270	3.3069		2.6604	2.2747	4.3895	2.0331	2.4026	1.6476
O5	1.3172	3.4962	2.2747	2.6604		3.6835	2.0037	4.5500	2.9626	1.0130
O6	3.4962	1.3172	2.6604	2.2747	3.6835		4.5500	2.0037	1.0130	2.9626
H7	1.1006	4.8884	2.0331	4.3895	2.0037	4.5500		5.9889	3.5717	2.8627
H8	4.8884	1.1006	4.3895	2.0331	4.5500	2.0037	5.9889		2.8627	3.5717
H9	2.5509	1.9200	1.6476	2.4026	2.9626	1.0130	3.5717	2.8627		2.4573
H10	1.9200	2.5509	2.4026	1.6476	1.0130	2.9626	2.8627	3.5717	2.4573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	124.453	C1	O5	H10	110.279
C2	O4	H10	124.453	C2	O6	H9	110.279
O3	C1	O5	126.743	O3	C1	H7	121.636
O3	H9	O6	178.525	O4	C2	O6	126.743
O4	C2	H8	121.636	O4	H10	O5	178.525
O5	C1	H7	111.621	O6	C2	H8	111.621

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

using model chemistry: B97D3/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	0.226
2	C	0.226
3	O	-0.375
4	O	-0.375
5	O	-0.232
6	O	-0.232
7	H	0.100
8	H	0.100
9	H	0.281
10	H	0.281

	x	y	z
x	7.064	-0.616	0.000
y	-0.616	7.433	0.000
z	0.000	0.000	3.449

<r²>	183.480
(<r²>)^1/2	13.545

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

using model chemistry: B97D3/TZVP

States and conformations

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