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	hartrees
Energy at 0K	-189.623310
Energy at 298.15K	-189.626264
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3419	3388	9.72
2	A	3213	3184	153.07
3	A	2901	2874	127.84
4	A	2841	2815	52.03
5	A	1693	1677	9.61
6	A	1679	1664	67.49
7	A	1517	1503	20.52
8	A	1241	1230	3.99
9	A	1184	1173	9.00
10	A	538	534	192.98
11	A	373	370	117.49
12	A	197	195	7.28
13	A	183	181	27.64
14	A	108	107	129.74
15	A	74	73	37.22

Atom	x (Å)	y (Å)	z (Å)
H1	1.017	-0.386	-0.069
O2	1.859	0.182	-0.056
O3	-0.918	-0.698	-0.013
H4	2.523	-0.406	0.418
C5	-1.333	0.473	0.021
H6	-0.648	1.350	0.056
H7	-2.418	0.727	0.020

	H1	O2	O3	H4	C5	H6	H7
H1		1.0154	1.9609	1.5826	2.5040	2.4089	3.6124
O2	1.0154		2.9129	1.0059	3.2058	2.7674	4.3120
O3	1.9609	2.9129		3.4803	1.2425	2.0667	2.0691
H4	1.5826	1.0059	3.4803		3.9751	3.6429	5.0853
C5	2.5040	3.2058	1.2425	3.9751		1.1137	1.1145
H6	2.4089	2.7674	2.0667	3.6429	1.1137		1.8773
H7	3.6124	4.3120	2.0691	5.0853	1.1145	1.8773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.068	H1	O3	C5	100.419
O2	H1	O3	154.999	O3	C5	H6	122.503
O3	C5	H7	122.683	H6	C5	H7	114.814

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

using model chemistry: PBEPBE_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: PBEPBE_cp_opt/3-21G

States and conformations

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