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	hartrees
Energy at 0K	-189.842478
Energy at 298.15K	-189.845096
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3530	3407	23.82
2	A	3369	3251	149.75
3	A	2998	2893	131.10
4	A	2938	2835	33.49
5	A	1748	1687	54.86
6	A	1724	1664	43.74
7	A	1570	1514	21.74
8	A	1280	1235	8.76
9	A	1223	1180	6.90
10	A	525	506	195.87
11	A	351	339	115.79
12	A	176	170	20.76
13	A	145	140	3.40
14	A	38	37	132.56
15	A	26	25	27.57

Atom	x (Å)	y (Å)	z (Å)
H1	1.096	-0.183	-0.006
O2	2.013	0.218	-0.004
O3	-0.831	-0.618	-0.002
H4	2.623	-0.568	0.031
C5	-1.559	0.374	0.002
H6	-1.165	1.404	0.006
H7	-2.659	0.304	0.001

	H1	O2	O3	H4	C5	H6	H7
H1		1.0012	1.9756	1.5748	2.7129	2.7627	3.7866
O2	1.0012		2.9648	0.9952	3.5757	3.3926	4.6732
O3	1.9756	2.9648		3.4543	1.2306	2.0495	2.0475
H4	1.5748	0.9952	3.4543		4.2866	4.2706	5.3534
C5	2.7129	3.5757	1.2306	4.2866		1.1026	1.1023
H6	2.7627	3.3926	2.0495	4.2706	1.1026		1.8551
H7	3.7866	4.6732	2.0475	5.3534	1.1023	1.8551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.146	H1	O3	C5	113.542
O2	H1	O3	169.093	O3	C5	H6	122.816
O3	C5	H7	122.621	H6	C5	H7	114.563

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

using model chemistry: B3LYP_cp_opt/3-21G

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/3-21G

States and conformations

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