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	hartrees
Energy at 0K	-190.946892
Energy at 298.15K	-190.950188
HF Energy	-190.946892
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	69.321824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3874	3739	59.23
2	A	3727	3596	135.06
3	A	3005	2900	58.16
4	A	2919	2817	72.00
5	A	1816	1752	86.55
6	A	1688	1629	58.88
7	A	1524	1471	16.44
8	A	1275	1231	7.06
9	A	1219	1176	2.55
10	A	593	572	198.83
11	A	322	310	52.61
12	A	233	225	46.33
13	A	201	194	75.04
14	A	195	188	23.79
15	A	154	148	34.75

Atom	x (Å)	y (Å)	z (Å)
H1	1.058	-0.495	-0.122
O2	1.814	0.110	-0.096
O3	-0.946	-0.678	0.002
H4	2.184	-0.023	0.781
C5	-1.238	0.493	0.011
H6	-0.463	1.280	-0.010
H7	-2.295	0.825	0.040

	H1	O2	O3	H4	C5	H6	H7
H1		0.9685	2.0153	1.5194	2.5026	2.3400	3.6064
O2	0.9685		2.8712	0.9617	3.0777	2.5615	4.1724
O3	2.0153	2.8712		3.2912	1.2062	2.0163	2.0198
H4	1.5194	0.9617	3.2912		3.5457	3.0546	4.6183
C5	2.5026	3.0777	1.2062	3.5457		1.1051	1.1080
H6	2.3400	2.5615	2.0163	3.0546	1.1051		1.8878
H7	3.6064	4.1724	2.0198	4.6183	1.1080	1.8878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.836	H1	O3	C5	98.835
O2	H1	O3	146.200	O3	C5	H6	121.403
O3	C5	H7	121.514	H6	C5	H7	117.083

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

using model chemistry: B3LYP/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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