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	hartrees
Energy at 0K	-377.056636
Energy at 298.15K	-377.063017
HF Energy	-377.056636
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	237.156221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3036	2895	0.00
2	A_g	1755	1674	0.00
3	A_g	1590	1516	0.00
4	A_g	1398	1333	0.00
5	A_g	1275	1216	0.00
6	A_g	866	826	0.00
7	A_g	662	632	0.00
8	A_g	344	328	0.00
9	A_g	148	141	0.00
10	A_u	1279	1220	309.96
11	A_u	1013	966	11.11
12	A_u	224	214	11.82
13	A_u	96	92	0.11
14	B_g	1235	1177	0.00
15	B_g	1029	981	0.00
16	B_g	319	304	0.00
17	B_u	3033	2892	81.93
18	B_u	1955	1864	4966.04
19	B_u	1622	1547	408.31
20	B_u	1494	1425	225.50
21	B_u	1391	1326	82.32
22	B_u	1266	1207	83.02
23	B_u	742	707	7.65
24	B_u	509	485	47.75

Atom	x (Å)	y (Å)
C1	-1.828	0.011
C2	1.828	-0.011
O3	-1.260	1.152
O4	1.260	-1.152
O5	-1.260	-1.176
O6	1.260	1.176
H7	-2.928	-0.035
H8	2.928	0.035
H9	0.170	1.207
H10	-0.170	-1.207

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.6558	1.2745	3.2991	1.3157	3.3002	1.1011	4.7559	2.3288	2.0573
C2	3.6558		3.2991	1.2745	3.3002	1.3157	4.7559	1.1011	2.0573	2.3288
O3	1.2745	3.2991		3.4135	2.3275	2.5197	2.0473	4.3340	1.4308	2.5985
O4	3.2991	1.2745	3.4135		2.5197	2.3275	4.3340	2.0473	2.5985	1.4308
O5	1.3157	3.3002	2.3275	2.5197		3.4468	2.0209	4.3594	2.7793	1.0903
O6	3.3002	1.3157	2.5197	2.3275	3.4468		4.3594	2.0209	1.0903	2.7793
H7	1.1011	4.7559	2.0473	4.3340	2.0209	4.3594		5.8564	3.3378	2.9968
H8	4.7559	1.1011	4.3340	2.0473	4.3594	2.0209	5.8564		2.9968	3.3378
H9	2.3288	2.0573	1.4308	2.5985	2.7793	1.0903	3.3378	2.9968		2.4385
H10	2.0573	2.3288	2.5985	1.4308	1.0903	2.7793	2.9968	3.3378	2.4385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	118.708	C1	O5	H10	117.227
C2	O4	H10	118.708	C2	O6	H9	117.227
O3	C1	O5	127.947	O3	C1	H7	118.863
O3	H9	O6	176.117	O4	C2	O6	127.947
O4	C2	H8	118.863	O4	H10	O5	176.117
O5	C1	H7	113.190	O6	C2	H8	113.190

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

using model chemistry: PBEPBE/3-21G*

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	0.383
2	C	0.383
3	O	-0.484
4	O	-0.484
5	O	-0.503
6	O	-0.503
7	H	0.232
8	H	0.232
9	H	0.372
10	H	0.372

	x	y	z
x	7.000	0.183	0.000
y	0.183	5.362	0.000
z	0.000	0.000	1.768

<r²>	173.737
(<r²>)^1/2	13.181

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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