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	hartrees
Energy at 0K	-190.452894
Energy at 298.15K	-190.456079
Counterpoise corrected energy	-190.452894
CP Energy at 298.15K	-190.456079
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	68.702458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3945	3774	69.20
2	A	3842	3675	60.31
3	A	3095	2961	65.56
4	A	2994	2864	55.61
5	A	1837	1757	70.05
6	A	1722	1647	51.62
7	A	1544	1477	9.92
8	A	1288	1232	10.12
9	A	1220	1167	3.44
10	A	530	507	208.43
11	A	304	290	53.95
12	A	229	219	54.03
13	A	180	172	16.69
14	A	175	167	109.02
15	A	161	154	19.44

Atom	x (Å)	y (Å)	z (Å)
H1	1.098	-0.504	-0.156
O2	1.845	0.108	-0.093
O3	-0.976	-0.682	0.001
H4	2.157	-0.043	0.806
C5	-1.244	0.500	0.010
H6	-0.447	1.276	-0.026
H7	-2.299	0.857	0.054

	H1	O2	O3	H4	C5	H6	H7
H1		0.9675	2.0876	1.5030	2.5533	2.3602	3.6658
O2	0.9675		2.9310	0.9641	3.1151	2.5733	4.2140
O3	2.0876	2.9310		3.2974	1.2119	2.0275	2.0300
H4	1.5030	0.9641	3.2974		3.5348	3.0354	4.6083
C5	2.5533	3.1151	1.2119	3.5348		1.1120	1.1152
H6	2.3602	2.5733	2.0275	3.0354	1.1120		1.9006
H7	3.6658	4.2140	2.0300	4.6083	1.1152	1.9006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	102.176	H1	O3	C5	97.865
O2	H1	O3	144.692	O3	C5	H6	121.434
O3	C5	H7	121.411	H6	C5	H7	117.155

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

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

using model chemistry: CCD/cc-pVDZ

States and conformations

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