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	hartrees
Energy at 0K	-190.404929
Energy at 298.15K	-190.407580
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3840	3694
2	A	3709	3568
3	A	3060	2944
4	A	2980	2867
5	A	1780	1713
6	A	1764	1697
7	A	1562	1502
8	A	1291	1242
9	A	1193	1148
10	A	461	444
11	A	329	317
12	A	167	161
13	A	154	149
14	A	68	65
15	A	60	58

Atom	x (Å)	y (Å)	z (Å)
H1	1.125	-0.392	-0.000
O2	1.911	0.184	-0.000
O3	-0.962	-0.685	0.000
H4	2.659	-0.434	0.000
C5	-1.373	0.468	0.000
H6	-0.686	1.334	0.000
H7	-2.456	0.696	-0.000

	H1	O2	O3	H4	C5	H6	H7
H1		0.9743	2.1075	1.5342	2.6427	2.5017	3.7432
O2	0.9743		3.0014	0.9700	3.2971	2.8403	4.3975
O3	2.1075	3.0014		3.6294	1.2239	2.0371	2.0347
H4	1.5342	0.9700	3.6294		4.1322	3.7833	5.2386
C5	2.6427	3.2971	1.2239	4.1322		1.1057	1.1065
H6	2.5017	2.8403	2.0371	3.7833	1.1057		1.8816
H7	3.7432	4.3975	2.0347	5.2386	1.1065	1.8816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.198	H1	O3	C5	101.680
O2	H1	O3	151.753	O3	C5	H6	121.879
O3	C5	H7	121.569	H6	C5	H7	116.552

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

using model chemistry: CCSD(T)_cp_opt/6-31G*

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: CCSD(T)_cp_opt/6-31G*

States and conformations

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