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	hartrees
Energy at 0K	-189.164525
Energy at 298.15K	-189.168357
HF Energy	-188.817672
Counterpoise corrected energy	-189.153208
CP Energy at 298.15K	-189.155675
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	69.411802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3475	38.09
2	A	3485	3327	64.85
3	A	3161	3017	37.11
4	A	3038	2900	60.09
5	A	1758	1678	54.83
6	A	1657	1581	5.05
7	A	1510	1441	20.06
8	A	1295	1236	1.29
9	A	1249	1193	8.81
10	A	706	674	352.93
11	A	414	395	52.55
12	A	332	317	83.21
13	A	251	240	180.84
14	A	243	232	14.46
15	A	231	220	10.03

Atom	x (Å)	y (Å)	z (Å)
H1	0.986	-0.561	-0.135
O2	1.727	0.097	-0.099
O3	-0.951	-0.706	0.007
H4	2.129	-0.002	0.799
C5	-1.145	0.538	0.009
H6	-0.305	1.233	-0.024
H7	-2.154	0.966	0.042

	H1	O2	O3	H4	C5	H6	H7
H1		0.9924	1.9472	1.5787	2.4026	2.2136	3.4962
O2	0.9924		2.7978	0.9885	2.9082	2.3296	3.9798
O3	1.9472	2.7978		3.2572	1.2593	2.0438	2.0600
H4	1.5787	0.9885	3.2572		3.4113	2.8510	4.4559
C5	2.4026	2.9082	1.2593	3.4113		1.0906	1.0961
H6	2.2136	2.3296	2.0438	2.8510	1.0906		1.8692
H7	3.4962	3.9798	2.0600	4.4559	1.0961	1.8692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.682	H1	O3	C5	94.621
O2	H1	O3	142.140	O3	C5	H6	120.686
O3	C5	H7	121.837	H6	C5	H7	117.477

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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