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	hartrees
Energy at 0K	-377.449180
Energy at 298.15K	-377.455593
HF Energy	-377.449180
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	237.125718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3120	3001	0.00
2	A_g	2219	2134	0.00
3	A_g	1630	1568	0.00
4	A_g	1475	1419	0.00
5	A_g	1392	1339	0.00
6	A_g	1276	1227	0.00
7	A_g	688	662	0.00
8	A_g	293	282	0.00
9	A_g	193	185	0.00
10	A_u	1235	1188	321.73
11	A_u	1057	1017	48.50
12	A_u	220	212	12.82
13	A_u	97	94	0.51
14	B_g	1184	1139	0.00
15	B_g	1073	1032	0.00
16	B_g	315	303	0.00
17	B_u	3118	3000	57.70
18	B_u	2485	2391	3830.88
19	B_u	1691	1627	544.93
20	B_u	1511	1454	152.16
21	B_u	1438	1383	91.92
22	B_u	1269	1221	208.96
23	B_u	742	713	15.40
24	B_u	423	407	97.94

Atom	x (Å)	y (Å)
C1	1.919	-0.212
C2	-1.919	0.212
O3	1.345	0.876
O4	-1.345	-0.876
O5	1.345	-1.419
O6	-1.345	1.419
H7	3.009	-0.307
H8	-3.009	0.307
H9	-0.340	1.385
H10	0.340	-1.385

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8608	1.2304	3.3303	1.3360	3.6484	1.0942	4.9548	2.7665	1.9669
C2	3.8608		3.3303	1.2304	3.6484	1.3360	4.9548	1.0942	1.9669	2.7665
O3	1.2304	3.3303		3.2099	2.2948	2.7438	2.0418	4.3906	1.7600	2.4746
O4	3.3303	1.2304	3.2099		2.7438	2.2948	4.3906	2.0418	2.4746	1.7600
O5	1.3360	3.6484	2.2948	2.7438		3.9097	2.0011	4.6833	3.2712	1.0055
O6	3.6484	1.3360	2.7438	2.2948	3.9097		4.6833	2.0011	1.0055	3.2712
H7	1.0942	4.9548	2.0418	4.3906	2.0011	4.6833		6.0489	3.7521	2.8784
H8	4.9548	1.0942	4.3906	2.0418	4.6833	2.0011	6.0489		2.8784	3.7521
H9	2.7665	1.9669	1.7600	2.4746	3.2712	1.0055	3.7521	2.8784		2.8528
H10	1.9669	2.7665	2.4746	1.7600	1.0055	3.2712	2.8784	3.7521	2.8528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.623	C1	O5	H10	113.534
C2	O4	H10	134.623	C2	O6	H9	113.534
O3	C1	O5	126.758	O3	C1	H7	122.779
O3	H9	O6	165.086	O4	C2	O6	126.758
O4	C2	H8	122.779	O4	H10	O5	165.086
O5	C1	H7	110.463	O6	C2	H8	110.463

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

using model chemistry: B3LYP/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	0.456
2	C	0.456
3	O	-0.512
4	O	-0.512
5	O	-0.557
6	O	-0.557
7	H	0.221
8	H	0.221
9	H	0.392
10	H	0.392

	x	y	z
x	6.424	-0.379	0.000
y	-0.379	5.216	0.000
z	0.000	0.000	1.699

<r²>	175.888
(<r²>)^1/2	13.262

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

using model chemistry: B3LYP/3-21G*

States and conformations

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