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	hartrees
Energy at 0K	-379.464151
Energy at 298.15K	-379.470065
HF Energy	-379.040280
Nuclear repulsion energy	235.944317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3109	2988	0.00
2	A_g	3093	2972	0.00
3	A_g	1690	1624	0.00
4	A_g	1480	1423	0.00
5	A_g	1408	1353	0.00
6	A_g	1254	1205	0.00
7	A_g	686	659	0.00
8	A_g	212	204	0.00
9	A_g	173	166	0.00
10	A_u	1106	1063	57.26
11	A_u	996	957	129.78
12	A_u	181	174	10.11
13	A_u	73	71	2.32
14	B_g	1083	1041	0.00
15	B_g	975	937	0.00
16	B_g	258	248	0.00
17	B_u	3211	3086	2163.23
18	B_u	3097	2976	443.66
19	B_u	1759	1690	779.28
20	B_u	1454	1397	2.48
21	B_u	1404	1350	40.43
22	B_u	1258	1209	332.20
23	B_u	717	689	38.73
24	B_u	281	270	70.86

Atom	x (Å)	y (Å)
C1	1.583	-1.119
C2	-1.583	1.119
O3	1.583	0.093
O4	-1.583	-0.093
O5	0.517	-1.892
O6	-0.517	1.892
H7	2.503	-1.711
H8	-2.503	1.711
H9	0.298	1.341
H10	-0.298	-1.341

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8766	1.2119	3.3276	1.3163	3.6704	1.0944	4.9702	2.7753	1.8941
C2	3.8766		3.3276	1.2119	3.6704	1.3163	4.9702	1.0944	1.8941	2.7753
O3	1.2119	3.3276		3.1710	2.2527	2.7647	2.0252	4.3946	1.7911	2.3655
O4	3.3276	1.2119	3.1710		2.7647	2.2527	4.3946	2.0252	2.3655	1.7911
O5	1.3163	3.6704	2.2527	2.7647		3.9219	1.9944	4.7010	3.2403	0.9836
O6	3.6704	1.3163	2.7647	2.2527	3.9219		4.7010	1.9944	0.9836	3.2403
H7	1.0944	4.9702	2.0252	4.3946	1.9944	4.7010		6.0641	3.7653	2.8258
H8	4.9702	1.0944	4.3946	2.0252	4.7010	1.9944	6.0641		2.8258	3.7653
H9	2.7753	1.8941	1.7911	2.3655	3.2403	0.9836	3.7653	2.8258		2.7482
H10	1.8941	2.7753	2.3655	1.7911	0.9836	3.2403	2.8258	3.7653	2.7482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.178	C1	O5	H10	110.043
C2	O4	H10	134.178	C2	O6	H9	110.043
O3	C1	O5	125.945	O3	C1	H7	122.741
O3	H9	O6	169.835	O4	C2	O6	125.945
O4	C2	H8	122.741	O4	H10	O5	169.835
O5	C1	H7	111.314	O6	C2	H8	111.314

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

using model chemistry: B2PLYP/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	-0.127
2	C	-0.127
3	O	-0.474
4	O	-0.474
5	O	-0.312
6	O	-0.312
7	H	0.587
8	H	0.587
9	H	0.327
10	H	0.327

	x	y	z
x	7.615	-0.438	0.000
y	-0.438	7.949	0.000
z	0.000	0.000	4.462

<r²>	183.439
(<r²>)^1/2	13.544

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

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

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