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	hartrees
Energy at 0K	-377.832050
Energy at 298.15K	-377.838455
HF Energy	-377.832050
Nuclear repulsion energy	242.853245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2974	2942	0.00
2	A_g	1986	1964	0.00
3	A_g	1572	1555	0.00
4	A_g	1401	1386	0.00
5	A_g	1362	1347	0.00
6	A_g	1243	1229	0.00
7	A_g	704	696	0.00
8	A_g	305	301	0.00
9	A_g	183	181	0.00
10	A_u	1244	1231	161.77
11	A_u	1020	1009	3.38
12	A_u	213	211	12.01
13	A_u	79	78	0.59
14	B_g	1199	1186	0.00
15	B_g	1026	1015	0.00
16	B_g	292	288	0.00
17	B_u	2973	2941	43.12
18	B_u	2190	2167	5355.00
19	B_u	1751	1731	797.89
20	B_u	1475	1459	30.38
21	B_u	1375	1360	105.54
22	B_u	1321	1307	112.48
23	B_u	774	766	18.67
24	B_u	463	458	122.07

Atom	x (Å)	y (Å)
C1	1.567	-1.109
C2	-1.567	1.109
O3	1.567	0.100
O4	-1.567	-0.100
O5	0.511	-1.880
O6	-0.511	1.880
H7	2.499	-1.707
H8	-2.499	1.707
H9	0.314	1.321
H10	-0.314	-1.321

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8391	1.2089	3.2920	1.3073	3.6396	1.1077	4.9459	2.7345	1.8924
C2	3.8391		3.2920	1.2089	3.6396	1.3073	4.9459	1.1077	1.8924	2.7345
O3	1.2089	3.2920		3.1398	2.2435	2.7354	2.0333	4.3720	1.7500	2.3571
O4	3.2920	1.2089	3.1398		2.7354	2.2435	4.3720	2.0333	2.3571	1.7500
O5	1.3073	3.6396	2.2435	2.7354		3.8953	1.9960	4.6821	3.2070	0.9954
O6	3.6396	1.3073	2.7354	2.2435	3.8953		4.6821	1.9960	0.9954	3.2070
H7	1.1077	4.9459	2.0333	4.3720	1.9960	4.6821		6.0530	3.7347	2.8391
H8	4.9459	1.1077	4.3720	2.0333	4.6821	1.9960	6.0530		2.8391	3.7347
H9	2.7345	1.8924	1.7500	2.3571	3.2070	0.9954	3.7347	2.8391		2.7163
H10	1.8924	2.7345	2.3571	1.7500	0.9954	3.2070	2.8391	3.7347	2.7163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.272	C1	O5	H10	109.789
C2	O4	H10	134.272	C2	O6	H9	109.789
O3	C1	O5	126.111	O3	C1	H7	122.671
O3	H9	O6	169.828	O4	C2	O6	126.111
O4	C2	H8	122.671	O4	H10	O5	169.828
O5	C1	H7	111.219	O6	C2	H8	111.219

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

using model chemistry: LSDA/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	0.145
2	C	0.145
3	O	-0.266
4	O	-0.266
5	O	-0.210
6	O	-0.210
7	H	0.109
8	H	0.109
9	H	0.222
10	H	0.222

	x	y	z
x	8.221	-0.252	0.000
y	-0.252	6.562	0.000
z	0.000	0.000	3.621

<r²>	168.083
(<r²>)^1/2	12.965

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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