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	hartrees
Energy at 0K	-191.020827
Energy at 298.15K	-191.023536
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3903	3786	97.89
2	A	3717	3606	257.66
3	A	2992	2902	66.26
4	A	2916	2828	62.78
5	A	1806	1751	103.44
6	A	1644	1595	81.27
7	A	1531	1485	22.04
8	A	1274	1236	9.69
9	A	1212	1175	5.99
10	A	510	495	90.22
11	A	361	350	111.54
12	A	177	171	29.79
13	A	162	157	0.00
14	A	66	64	40.86
15	A	33	32	141.26

Atom	x (Å)	y (Å)	z (Å)
H1	1.081	-0.374	-0.004
O2	1.869	0.189	-0.008
O3	-0.895	-0.662	-0.002
H4	2.616	-0.410	0.052
C5	-1.378	0.439	0.003
H6	-0.751	1.346	0.010
H7	-2.471	0.587	0.001

	H1	O2	O3	H4	C5	H6	H7
H1		0.9680	1.9969	1.5367	2.5901	2.5129	3.6800
O2	0.9680		2.8918	0.9596	3.2564	2.8640	4.3584
O3	1.9969	2.8918		3.5207	1.2030	2.0136	2.0113
H4	1.5367	0.9596	3.5207		4.0839	3.7979	5.1847
C5	2.5901	3.2564	1.2030	4.0839		1.1024	1.1033
H6	2.5129	2.8640	2.0136	3.7979	1.1024		1.8806
H7	3.6800	4.3584	2.0113	5.1847	1.1033	1.8806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.724	H1	O3	C5	105.369
O2	H1	O3	152.764	O3	C5	H6	121.659
O3	C5	H7	121.345	H6	C5	H7	116.996

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

using model chemistry: B3LYP_cp_opt/6-311+G(3df,2pd)

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/6-311+G(3df,2pd)

States and conformations

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