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	hartrees
Energy at 0K	-190.953135
Energy at 298.15K	-190.955902
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3905	3766	105.40
2	A	3710	3577	228.92
3	A	3032	2924	70.65
4	A	2947	2842	55.14
5	A	1802	1737	105.63
6	A	1624	1566	105.25
7	A	1534	1479	18.51
8	A	1270	1224	7.96
9	A	1204	1161	5.78
10	A	512	494	135.14
11	A	361	348	141.66
12	A	181	175	32.45
13	A	168	162	0.02
14	A	69	66	52.75
15	A	53	51	179.30

Atom	x (Å)	y (Å)	z (Å)
H1	1.081	-0.398	-0.006
O2	1.858	0.186	-0.009
O3	-0.903	-0.672	-0.002
H4	2.630	-0.386	0.064
C5	-1.364	0.451	0.003
H6	-0.712	1.343	0.013
H7	-2.456	0.622	-0.001

	H1	O2	O3	H4	C5	H6	H7
H1		0.9722	2.0028	1.5508	2.5883	2.5000	3.6816
O2	0.9722		2.8912	0.9638	3.2326	2.8187	4.3362
O3	2.0028	2.8912		3.5454	1.2143	2.0247	2.0218
H4	1.5508	0.9638	3.5454		4.0812	3.7636	5.1858
C5	2.5883	3.2326	1.2143	4.0812		1.1048	1.1058
H6	2.5000	2.8187	2.0247	3.7636	1.1048		1.8876
H7	3.6816	4.3362	2.0218	5.1858	1.1058	1.8876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.457	H1	O3	C5	104.446
O2	H1	O3	150.900	O3	C5	H6	121.554
O3	C5	H7	121.178	H6	C5	H7	117.267

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

using model chemistry: B3LYP_cp_opt/6-31+G**

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/6-31+G**

States and conformations

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