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	hartrees
Energy at 0K	-191.025177
Energy at 298.15K	-191.027919
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3875	3759	97.23
2	A	3683	3573	269.45
3	A	2991	2901	66.83
4	A	2917	2829	64.79
5	A	1797	1743	104.15
6	A	1644	1595	79.10
7	A	1529	1483	23.01
8	A	1271	1233	9.78
9	A	1209	1173	5.91
10	A	512	497	81.08
11	A	362	351	104.17
12	A	179	174	29.89
13	A	163	158	0.06
14	A	67	65	38.37
15	A	40	39	133.35

Atom	x (Å)	y (Å)	z (Å)
H1	1.075	-0.368	-0.007
O2	1.867	0.190	-0.015
O3	-0.887	-0.661	-0.004
H4	2.609	-0.409	0.101
C5	-1.382	0.437	0.006
H6	-0.764	1.350	0.021
H7	-2.476	0.573	-0.000

	H1	O2	O3	H4	C5	H6	H7
H1		0.9693	1.9833	1.5388	2.5850	2.5162	3.6737
O2	0.9693		2.8826	0.9606	3.2583	2.8753	4.3604
O3	1.9833	2.8826		3.5066	1.2047	2.0149	2.0125
H4	1.5388	0.9606	3.5066		4.0806	3.8046	5.1805
C5	2.5850	3.2583	1.2047	4.0806		1.1024	1.1032
H6	2.5162	2.8753	2.0149	3.8046	1.1024		1.8809
H7	3.6737	4.3604	2.0125	5.1805	1.1032	1.8809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.746	H1	O3	C5	105.756
O2	H1	O3	153.334	O3	C5	H6	121.644
O3	C5	H7	121.323	H6	C5	H7	117.034

All results from a given calculation for H₂OH₂CO (water formaldehyde dimer)

using model chemistry: B3LYP_cp_opt/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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All results from a given calculation for H2OH2CO (water formaldehyde dimer)

using model chemistry: B3LYP_cp_opt/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂OH₂CO (water formaldehyde dimer)