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	hartrees
Energy at 0K	-377.350086
Energy at 298.15K	-377.356589
HF Energy	-377.350086
Nuclear repulsion energy	238.831838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3156	2997	0.00
2	A_g	2112	2006	0.00
3	A_g	1647	1564	0.00
4	A_g	1476	1402	0.00
5	A_g	1370	1301	0.00
6	A_g	1304	1238	0.00
7	A_g	698	663	0.00
8	A_g	311	295	0.00
9	A_g	189	180	0.00
10	A_u	1277	1213	358.54
11	A_u	1076	1021	37.07
12	A_u	224	213	15.86
13	A_u	99	94	0.48
14	B_g	1225	1164	0.00
15	B_g	1089	1034	0.00
16	B_g	319	303	0.00
17	B_u	3154	2995	55.03
18	B_u	2397	2277	4317.08
19	B_u	1722	1635	579.82
20	B_u	1528	1451	199.89
21	B_u	1445	1372	92.66
22	B_u	1306	1240	191.54
23	B_u	757	719	15.22
24	B_u	457	434	103.65

Atom	x (Å)	y (Å)
C1	-1.820	0.063
C2	1.820	-0.063
O3	-1.247	-1.053
O4	1.247	1.053
O5	-1.247	1.237
O6	1.247	-1.237
H7	-2.907	0.115
H8	2.907	-0.115
H9	0.165	-1.206
H10	-0.165	1.206

	C1	C2	O3	O4	O5	O6	H7	H8	H9	H10
C1		3.6413	1.2540	3.2219	1.3068	3.3303	1.0890	4.7302	2.3554	2.0116
C2	3.6413		3.2219	1.2540	3.3303	1.3068	4.7302	1.0890	2.0116	2.3554
O3	1.2540	3.2219		3.2630	2.2899	2.4999	2.0300	4.2584	1.4196	2.5047
O4	3.2219	1.2540	3.2630		2.4999	2.2899	4.2584	2.0300	2.5047	1.4196
O5	1.3068	3.3303	2.2899	2.4999		3.5127	2.0045	4.3684	2.8220	1.0823
O6	3.3303	1.3068	2.4999	2.2899	3.5127		4.3684	2.0045	1.0823	2.8220
H7	1.0890	4.7302	2.0300	4.2584	2.0045	4.3684		5.8191	3.3440	2.9519
H8	4.7302	1.0890	4.2584	2.0300	4.3684	2.0045	5.8191		2.9519	3.3440
H9	2.3554	2.0116	1.4196	2.5047	2.8220	1.0823	3.3440	2.9519		2.4352
H10	2.0116	2.3554	2.5047	1.4196	1.0823	2.8220	2.9519	3.3440	2.4352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H9	123.411	C1	O5	H10	114.369
C2	O4	H10	123.411	C2	O6	H9	114.369
O3	C1	O5	126.803	O3	C1	H7	119.927
O3	H9	O6	175.416	O4	C2	O6	126.803
O4	C2	H8	119.927	O4	H10	O5	175.416
O5	C1	H7	113.270	O6	C2	H8	113.270

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

using model chemistry: mPW1PW91/3-21G*

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	0.461
2	C	0.461
3	O	-0.541
4	O	-0.541
5	O	-0.582
6	O	-0.582
7	H	0.248
8	H	0.248
9	H	0.414
10	H	0.414

	x	y	z
x	6.262	-0.338	0.000
y	-0.338	5.149	0.000
z	0.000	0.000	1.701

<r²>	172.904
(<r²>)^1/2	13.149

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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