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	hartrees
Energy at 0K	-379.207909
Energy at 298.15K	-379.213944
HF Energy	-379.207909
Nuclear repulsion energy	237.286436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3108	2988	0.00
2	A_g	2977	2863	0.00
3	A_g	1713	1648	0.00
4	A_g	1500	1442	0.00
5	A_g	1395	1342	0.00
6	A_g	1289	1239	0.00
7	A_g	690	664	0.00
8	A_g	222	214	0.00
9	A_g	180	173	0.00
10	A_u	1124	1081	87.74
11	A_u	1024	985	95.16
12	A_u	191	184	10.93
13	A_u	77	74	2.15
14	B_g	1090	1048	0.00
15	B_g	1015	976	0.00
16	B_g	271	261	0.00
17	B_u	3136	3016	1038.61
18	B_u	3078	2959	2007.39
19	B_u	1799	1730	831.99
20	B_u	1464	1408	0.92
21	B_u	1398	1344	54.35
22	B_u	1290	1241	294.45
23	B_u	732	704	39.24
24	B_u	302	291	83.18

Atom	x (Å)	y (Å)
C1	1.580	-1.121
C2	-1.580	1.121
O3	1.580	0.092
O4	-1.580	-0.092
O5	0.515	-1.892
O6	-0.515	1.892
H7	2.509	-1.717
H8	-2.509	1.717
H9	0.298	1.336
H10	-0.298	-1.336

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.8733	1.2127	3.3222	1.3142	3.6690	1.1044	4.9767	2.7708	1.8894
C2	3.8733		3.3222	1.2127	3.6690	1.3142	4.9767	1.1044	1.8894	2.7708
O3	1.2127	3.3222		3.1644	2.2511	2.7616	2.0340	4.3996	1.7861	2.3584
O4	3.3222	1.2127	3.1644		2.7616	2.2511	4.3996	2.0340	2.3584	1.7861
O5	1.3142	3.6690	2.2511	2.7616		3.9210	2.0013	4.7084	3.2347	0.9847
O6	3.6690	1.3142	2.7616	2.2511	3.9210		4.7084	2.0013	0.9847	3.2347
H7	1.1044	4.9767	2.0340	4.3996	2.0013	4.7084		6.0806	3.7697	2.8323
H8	4.9767	1.1044	4.3996	2.0340	4.7084	2.0013	6.0806		2.8323	3.7697
H9	2.7708	1.8894	1.7861	2.3584	3.2347	0.9847	3.7697	2.8323		2.7371
H10	1.8894	2.7708	2.3584	1.7861	0.9847	3.2347	2.8323	3.7697	2.7371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	134.133	C1	O5	H10	109.714
C2	O4	H10	134.133	C2	O6	H9	109.714
O3	C1	O5	125.922	O3	C1	H7	122.691
O3	H9	O6	170.230	O4	C2	O6	125.922
O4	C2	H8	122.691	O4	H10	O5	170.230
O5	C1	H7	111.387	O6	C2	H8	111.387

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

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	0.822
2	C	0.822
3	O	-0.490
4	O	-0.490
5	O	-0.309
6	O	-0.309
7	H	-0.278
8	H	-0.278
9	H	0.255
10	H	0.255

	x	y	z
x	7.589	-0.552	0.000
y	-0.552	7.782	0.000
z	0.000	0.000	4.340

<r²>	180.142
(<r²>)^1/2	13.422

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

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