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	hartrees
Energy at 0K	-77.516368
Energy at 298.15K	-77.522391
HF Energy	-77.516368
Nuclear repulsion energy	131.852745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3156	3156	0.00
2	A_g	2930	2930	0.00
3	A_g	1627	1627	0.00
4	A_g	1447	1447	0.00
5	A_g	1391	1391	0.00
6	A_g	1229	1229	0.00
7	A_g	648	648	0.00
8	A_g	236	236	0.00
9	A_g	177	177	0.00
10	A_u	1148	1148	329.92
11	A_u	1016	1016	75.39
12	A_u	184	184	17.41
13	A_u	97	97	1.49
14	B_g	1103	1103	0.00
15	B_g	1019	1019	0.00
16	B_g	268	268	0.00
17	B_u	3159	3159	7.62
18	B_u	3056	3056	2425.21
19	B_u	1673	1673	825.04
20	B_u	1441	1441	11.15
21	B_u	1389	1389	108.45
22	B_u	1222	1222	374.82
23	B_u	675	675	46.77
24	B_u	304	304	81.97

Atom	x (Å)	y (Å)
C1	1.895	-0.136
C2	-1.895	0.136
O3	1.298	0.968
O4	-1.298	-0.968
O5	1.298	-1.332
O6	-1.298	1.332
H7	2.983	-0.208
H8	-2.983	0.208
H9	-0.283	1.288
H10	0.283	-1.288

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7989	1.2557	3.2989	1.3367	3.5139	1.0912	4.8901	2.6024	1.9808
C2	3.7989		3.2989	1.2557	3.5139	1.3367	4.8901	1.0912	1.9808	2.6024
O3	1.2557	3.2989		3.2384	2.3009	2.6208	2.0556	4.3481	1.6129	2.4744
O4	3.2989	1.2557	3.2384		2.6208	2.3009	4.3481	2.0556	2.4744	1.6129
O5	1.3367	3.5139	2.3009	2.6208		3.7199	2.0263	4.5498	3.0607	1.0155
O6	3.5139	1.3367	2.6208	2.3009	3.7199		4.5498	2.0263	1.0155	3.0607
H7	1.0912	4.8901	2.0556	4.3481	2.0263	4.5498		5.9813	3.5930	2.9084
H8	4.8901	1.0912	4.3481	2.0556	4.5498	2.0263	5.9813		2.9084	3.5930
H9	2.6024	1.9808	1.6129	2.4744	3.0607	1.0155	3.5930	2.9084		2.6383
H10	1.9808	2.6024	2.4744	1.6129	1.0155	3.0607	2.9084	3.5930	2.6383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	129.821	C1	O5	H10	114.036
C2	O4	H10	129.821	C2	O6	H9	114.036
O3	C1	O5	125.101	O3	C1	H7	122.140
O3	H9	O6	171.042	O4	C2	O6	125.101
O4	C2	H8	122.140	O4	H10	O5	171.042
O5	C1	H7	112.759	O6	C2	H8	112.759

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

using model chemistry: wB97X-D/CEP-121G

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	0.043
2	C	0.043
3	O	-0.290
4	O	-0.290
5	O	-0.312
6	O	-0.312
7	H	0.178
8	H	0.178
9	H	0.381
10	H	0.381

	x	y	z
x	6.590	-0.573	0.000
y	-0.573	6.433	0.000
z	0.000	0.000	2.827

<r²>	144.932
(<r²>)^1/2	12.039

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

using model chemistry: wB97X-D/CEP-121G

States and conformations

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