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	hartrees
Energy at 0K	-190.188907
Energy at 298.15K	-190.191877
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	67.435194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3844	3702	80.75
2	A	3619	3485	108.14
3	A	3147	3031	66.04
4	A	3033	2921	61.27
5	A	1642	1582	120.14
6	A	1613	1553	27.80
7	A	1483	1428	33.64
8	A	1251	1205	3.58
9	A	1188	1145	17.23
10	A	541	521	251.94
11	A	410	395	178.08
12	A	198	191	21.59
13	A	198	190	2.41
14	A	95	91	68.49
15	A	70	67	239.07

Atom	x (Å)	y (Å)	z (Å)
H1	-1.081	-0.492	0.000
O2	-1.807	0.173	-0.000
O3	0.911	-0.710	-0.000
H4	-2.687	-0.251	0.000
C5	1.320	0.496	0.000
H6	0.607	1.337	-0.000
H7	2.401	0.724	0.000

	H1	O2	O3	H4	C5	H6	H7
H1		0.9842	2.0043	1.6234	2.5964	2.4892	3.6879
O2	0.9842		2.8578	0.9769	3.1434	2.6800	4.2432
O3	2.0043	2.8578		3.6270	1.2729	2.0694	2.0672
H4	1.6234	0.9769	3.6270		4.0757	3.6568	5.1798
C5	2.5964	3.1434	1.2729	4.0757		1.1028	1.1043
H6	2.4892	2.6800	2.0694	3.6568	1.1028		1.8953
H7	3.6879	4.2432	2.0672	5.1798	1.1043	1.8953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	111.745	H1	O3	C5	102.489
O2	H1	O3	143.732	O3	C5	H6	121.002
O3	C5	H7	120.652	H6	C5	H7	118.346

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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