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	hartrees
Energy at 0K	-379.515440
Energy at 298.15K	-379.521306
HF Energy	-379.515440
Nuclear repulsion energy	236.682228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3224	3224	0.00
2	A_g	3125	3125	0.00
3	A_g	1777	1777	0.00
4	A_g	1480	1480	0.00
5	A_g	1424	1424	0.00
6	A_g	1293	1293	0.00
7	A_g	700	700	0.00
8	A_g	196	196	0.00
9	A_g	157	157	0.00
10	A_u	1118	1118	29.04
11	A_u	984	984	248.74
12	A_u	182	182	8.56
13	A_u	74	74	2.27
14	B_g	1106	1106	0.00
15	B_g	947	947	0.00
16	B_g	269	269	0.00
17	B_u	3330	3330	2217.95
18	B_u	3119	3119	266.68
19	B_u	1849	1849	899.15
20	B_u	1453	1453	0.23
21	B_u	1421	1421	80.35
22	B_u	1292	1292	365.45
23	B_u	723	723	56.32
24	B_u	264	264	68.69

Atom	x (Å)	y (Å)
C1	1.567	-1.131
C2	-1.567	1.131
O3	1.567	0.076
O4	-1.567	-0.076
O5	0.505	-1.899
O6	-0.505	1.899
H7	2.491	-1.723
H8	-2.491	1.723
H9	0.305	1.346
H10	-0.305	-1.346

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8643	1.2062	3.3066	1.3106	3.6701	1.0975	4.9606	2.7790	1.8845
C2	3.8643		3.3066	1.2062	3.6701	1.3106	4.9606	1.0975	1.8845	2.7790
O3	1.2062	3.3066		3.1375	2.2419	2.7598	2.0221	4.3793	1.7900	2.3506
O4	3.3066	1.2062	3.1375		2.7598	2.2419	4.3793	2.0221	2.3506	1.7900
O5	1.3106	3.6701	2.2419	2.7598		3.9296	1.9935	4.7002	3.2505	0.9812
O6	3.6701	1.3106	2.7598	2.2419	3.9296		4.7002	1.9935	0.9812	3.2505
H7	1.0975	4.9606	2.0221	4.3793	1.9935	4.7002		6.0573	3.7673	2.8214
H8	4.9606	1.0975	4.3793	2.0221	4.7002	1.9935	6.0573		2.8214	3.7673
H9	2.7790	1.8845	1.7900	2.3506	3.2505	0.9812	3.7673	2.8214		2.7595
H10	1.8845	2.7790	2.3506	1.7900	0.9812	3.2505	2.8214	3.7673	2.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	135.186	C1	O5	H10	109.793
C2	O4	H10	135.186	C2	O6	H9	109.793
O3	C1	O5	125.886	O3	C1	H7	122.673
O3	H9	O6	169.134	O4	C2	O6	125.886
O4	C2	H8	122.673	O4	H10	O5	169.134
O5	C1	H7	111.441	O6	C2	H8	111.441

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

using model chemistry: M06-2X/6-311G**

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	0.321
2	C	0.321
3	O	-0.435
4	O	-0.435
5	O	-0.332
6	O	-0.332
7	H	0.128
8	H	0.128
9	H	0.317
10	H	0.317

	x	y	z
x	5.985	-0.609	0.000
y	-0.609	6.538	0.000
z	0.000	0.000	2.842

<r²>	182.847
(<r²>)^1/2	13.522

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

using model chemistry: M06-2X/6-311G**

States and conformations

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