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	hartrees
Energy at 0K	-377.442246
Energy at 298.15K	-377.448219
HF Energy	-377.442246
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	234.301953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3621	3259	0.00
2	A_g	3402	3062	0.00
3	A_g	1800	1620	0.00
4	A_g	1549	1394	0.00
5	A_g	1503	1353	0.00
6	A_g	1294	1165	0.00
7	A_g	696	626	0.00
8	A_g	209	188	0.00
9	A_g	181	163	0.00
10	A_u	1190	1071	42.63
11	A_u	1075	967	567.12
12	A_u	188	169	24.41
13	A_u	101	91	2.95
14	B_g	1184	1065	0.00
15	B_g	1028	926	0.00
16	B_g	261	235	0.00
17	B_u	3687	3318	1548.15
18	B_u	3400	3059	129.63
19	B_u	1840	1656	1139.74
20	B_u	1536	1382	5.05
21	B_u	1495	1345	138.70
22	B_u	1288	1159	548.80
23	B_u	717	646	94.99
24	B_u	249	224	53.63

Atom	x (Å)	y (Å)
C1	1.590	-1.082
C2	-1.590	1.082
O3	1.590	0.143
O4	-1.590	-0.143
O5	0.510	-1.841
O6	-0.510	1.841
H7	2.496	-1.661
H8	-2.496	1.661
H9	0.348	1.378
H10	-0.348	-1.378

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8471	1.2255	3.3160	1.3205	3.5996	1.0752	4.9219	2.7565	1.9607
C2	3.8471		3.3160	1.2255	3.5996	1.3205	4.9219	1.0752	1.9607	2.7565
O3	1.2255	3.3160		3.1931	2.2596	2.7005	2.0188	4.3593	1.7518	2.4641
O4	3.3160	1.2255	3.1931		2.7005	2.2596	4.3593	2.0188	2.4641	1.7518
O5	1.3205	3.5996	2.2596	2.7005		3.8212	1.9951	4.6153	3.2239	0.9746
O6	3.5996	1.3205	2.7005	2.2596	3.8212		4.6153	1.9951	0.9746	3.2239
H7	1.0752	4.9219	2.0188	4.3593	1.9951	4.6153		5.9969	3.7219	2.8585
H8	4.9219	1.0752	4.3593	2.0188	4.6153	1.9951	5.9969		2.8585	3.7219
H9	2.7565	1.9607	1.7518	2.4641	3.2239	0.9746	3.7219	2.8585		2.8435
H10	1.9607	2.7565	2.4641	1.7518	0.9746	3.2239	2.8585	3.7219	2.8435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.845	C1	O5	H10	116.556
C2	O4	H10	134.845	C2	O6	H9	116.556
O3	C1	O5	125.085	O3	C1	H7	122.547
O3	H9	O6	163.514	O4	C2	O6	125.085
O4	C2	H8	122.547	O4	H10	O5	163.514
O5	C1	H7	112.368	O6	C2	H8	112.368

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

using model chemistry: HF/LANL2DZ

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	0.340
2	C	0.340
3	O	-0.498
4	O	-0.498
5	O	-0.582
6	O	-0.582
7	H	0.222
8	H	0.222
9	H	0.519
10	H	0.519

	x	y	z
x	4.732	-0.215	0.000
y	-0.215	5.866	0.000
z	0.000	0.000	2.172

<r²>	187.214
(<r²>)^1/2	13.683

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

using model chemistry: HF/LANL2DZ

States and conformations

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