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	hartrees
Energy at 0K	-190.467932
Energy at 298.15K	-190.470680
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3968	3808
2	A	3813	3659
3	A	3121	2995
4	A	3028	2906
5	A	1761	1690
6	A	1657	1590
7	A	1559	1496
8	A	1286	1234
9	A	1200	1152
10	A	470	451
11	A	327	314
12	A	172	165
13	A	159	153
14	A	83	80
15	A	80	77

Atom	x (Å)	y (Å)	z (Å)
H1	1.127	-0.455	-0.001
O2	1.863	0.174	-0.001
O3	-0.957	-0.688	0.000
H4	2.666	-0.356	0.004
C5	-1.335	0.479	0.000
H6	-0.620	1.313	0.004
H7	-2.405	0.730	-0.003

	H1	O2	O3	H4	C5	H6	H7
H1		0.9678	2.0975	1.5418	2.6332	2.4856	3.7254
O2	0.9678		2.9488	0.9623	3.2120	2.7315	4.3035
O3	2.0975	2.9488		3.6383	1.2265	2.0290	2.0262
H4	1.5418	0.9623	3.6383		4.0869	3.6854	5.1856
C5	2.6332	3.2120	1.2265	4.0869		1.0982	1.0990
H6	2.4856	2.7315	2.0290	3.6854	1.0982		1.8775
H7	3.7254	4.3035	2.0262	5.1856	1.0990	1.8775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.034	H1	O3	C5	101.549
O2	H1	O3	145.836	O3	C5	H6	121.472
O3	C5	H7	121.120	H6	C5	H7	117.408

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

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

States and conformations

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