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	hartrees
Energy at 0K	-379.606664
Energy at 298.15K	-379.612696
HF Energy	-379.606664
Nuclear repulsion energy	238.009537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3089	2959	0.00
2	A_g	2989	2864	0.00
3	A_g	1717	1645	0.00
4	A_g	1502	1439	0.00
5	A_g	1414	1354	0.00
6	A_g	1292	1238	0.00
7	A_g	699	670	0.00
8	A_g	221	212	0.00
9	A_g	179	172	0.00
10	A_u	1121	1074	78.36
11	A_u	1028	985	105.52
12	A_u	191	183	10.90
13	A_u	76	73	2.31
14	B_g	1092	1046	0.00
15	B_g	1014	972	0.00
16	B_g	268	257	0.00
17	B_u	3135	3004	1681.91
18	B_u	3069	2940	1328.28
19	B_u	1802	1727	842.15
20	B_u	1467	1406	1.61
21	B_u	1415	1356	56.57
22	B_u	1293	1239	314.20
23	B_u	738	707	38.40
24	B_u	301	288	83.93

Atom	x (Å)	y (Å)
C1	1.619	-0.946
C2	-1.619	0.946
O3	1.619	0.270
O4	-1.619	-0.270
O5	0.572	-1.717
O6	-0.572	1.717
H7	2.553	-1.518
H8	-2.553	1.518
H9	0.270	1.170
H10	-0.270	-1.170

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.7508	1.2159	3.3086	1.3004	3.4485	1.0949	4.8455	2.5099	1.9028
C2	3.7508		3.3086	1.2159	3.4485	1.3004	4.8455	1.0949	1.9028	2.5099
O3	1.2159	3.3086		3.2835	2.2459	2.6260	2.0171	4.3550	1.6222	2.3760
O4	3.3086	1.2159	3.2835		2.6260	2.2459	4.3550	2.0171	2.3760	1.6222
O5	1.3004	3.4485	2.2459	2.6260		3.6191	1.9907	4.4977	2.9029	1.0039
O6	3.4485	1.3004	2.6260	2.2459	3.6191		4.4977	1.9907	1.0039	2.9029
H7	1.0949	4.8455	2.0171	4.3550	1.9907	4.4977		5.9403	3.5269	2.8443
H8	4.8455	1.0949	4.3550	2.0171	4.4977	1.9907	5.9403		2.8443	3.5269
H9	2.5099	1.9028	1.6222	2.3760	2.9029	1.0039	3.5269	2.8443		2.4024
H10	1.9028	2.5099	2.3760	1.6222	1.0039	2.9029	2.8443	3.5269	2.4024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	123.715	C1	O5	H10	110.678
C2	O4	H10	123.715	C2	O6	H9	110.678
O3	C1	O5	126.357	O3	C1	H7	121.504
O3	H9	O6	179.250	O4	C2	O6	126.357
O4	C2	H8	121.504	O4	H10	O5	179.250
O5	C1	H7	112.138	O6	C2	H8	112.138

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

using model chemistry: mPW1PW91/aug-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	0.024
2	C	0.024
3	O	-0.479
4	O	-0.479
5	O	-0.285
6	O	-0.285
7	H	0.446
8	H	0.446
9	H	0.293
10	H	0.293

	x	y	z
x	7.525	-0.514	0.000
y	-0.514	7.713	0.000
z	0.000	0.000	4.362

<r²>	179.423
(<r²>)^1/2	13.395

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

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