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	hartrees
Energy at 0K	-379.560055
Energy at 298.15K	-379.566028
HF Energy	-379.560055
Nuclear repulsion energy	237.761571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3122	2982	0.00
2	A_g	3028	2892	0.00
3	A_g	1742	1663	0.00
4	A_g	1490	1423	0.00
5	A_g	1426	1362	0.00
6	A_g	1299	1240	0.00
7	A_g	703	672	0.00
8	A_g	208	198	0.00
9	A_g	164	157	0.00
10	A_u	1123	1073	41.76
11	A_u	1018	972	179.08
12	A_u	192	184	11.51
13	A_u	71	68	2.20
14	B_g	1107	1057	0.00
15	B_g	988	943	0.00
16	B_g	272	260	0.00
17	B_u	3173	3031	1835.07
18	B_u	3104	2965	1157.67
19	B_u	1829	1747	880.57
20	B_u	1455	1390	0.51
21	B_u	1425	1361	84.55
22	B_u	1298	1240	331.83
23	B_u	736	703	45.11
24	B_u	291	278	85.67

Atom	x (Å)	y (Å)
C1	1.572	-1.127
C2	-1.572	1.127
O3	1.572	0.079
O4	-1.572	-0.079
O5	0.509	-1.893
O6	-0.509	1.893
H7	2.495	-1.717
H8	-2.495	1.717
H9	0.304	1.341
H10	-0.304	-1.341

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8687	1.2057	3.3144	1.3105	3.6672	1.0959	4.9634	2.7745	1.8881
C2	3.8687		3.3144	1.2057	3.6672	1.3105	4.9634	1.0959	1.8881	2.7745
O3	1.2057	3.3144		3.1483	2.2401	2.7605	2.0196	4.3852	1.7892	2.3525
O4	3.3144	1.2057	3.1483		2.7605	2.2401	4.3852	2.0196	2.3525	1.7892
O5	1.3105	3.6672	2.2401	2.7605		3.9199	1.9945	4.6966	3.2399	0.9823
O6	3.6672	1.3105	2.7605	2.2401	3.9199		4.6966	1.9945	0.9823	3.2399
H7	1.0959	4.9634	2.0196	4.3852	1.9945	4.6966		6.0585	3.7623	2.8244
H8	4.9634	1.0959	4.3852	2.0196	4.6966	1.9945	6.0585		2.8244	3.7623
H9	2.7745	1.8881	1.7892	2.3525	3.2399	0.9823	3.7623	2.8244		2.7493
H10	1.8881	2.7745	2.3525	1.7892	0.9823	3.2399	2.8244	3.7623	2.7493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.852	C1	O5	H10	110.045
C2	O4	H10	134.852	C2	O6	H9	110.045
O3	C1	O5	125.760	O3	C1	H7	122.600
O3	H9	O6	169.344	O4	C2	O6	125.760
O4	C2	H8	122.600	O4	H10	O5	169.344
O5	C1	H7	111.641	O6	C2	H8	111.641

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

using model chemistry: M06-2X/cc-pVTZ

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	0.263
2	C	0.263
3	O	-0.381
4	O	-0.381
5	O	-0.286
6	O	-0.286
7	H	0.117
8	H	0.117
9	H	0.287
10	H	0.287

	x	y	z
x	6.676	-0.621	0.000
y	-0.621	6.948	0.000
z	0.000	0.000	3.506

<r²>	180.065
(<r²>)^1/2	13.419

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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