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	hartrees
Energy at 0K	-189.190168
Energy at 298.15K	-189.193924
HF Energy	-188.817203
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	69.243136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3564	3530
2	A	3424	3392
3	A	3081	3052
4	A	2961	2933
5	A	1750	1734
6	A	1640	1625
7	A	1507	1493
8	A	1273	1261
9	A	1205	1193
10	A	683	676
11	A	399	395
12	A	323	320
13	A	242	240
14	A	235	233
15	A	222	220

Atom	x (Å)	y (Å)	z (Å)
H1	0.996	-0.578	-0.073
O2	1.730	0.093	-0.105
O3	-0.958	-0.704	0.007
H4	2.184	0.033	0.777
C5	-1.149	0.538	0.010
H6	-0.302	1.235	-0.007
H7	-2.162	0.971	0.025

	H1	O2	O3	H4	C5	H6	H7
H1		0.9954	1.9598	1.5833	2.4195	2.2311	3.5191
O2	0.9954		2.8061	0.9935	2.9152	2.3331	3.9920
O3	1.9598	2.8061		3.3178	1.2573	2.0471	2.0635
H4	1.5833	0.9935	3.3178		3.4565	2.8702	4.5090
C5	2.4195	2.9152	1.2573	3.4565		1.0961	1.1020
H6	2.2311	2.3331	2.0471	2.8702	1.0961		1.8784
H7	3.5191	3.9920	2.0635	4.5090	1.1020	1.8784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.520	H1	O3	C5	95.033
O2	H1	O3	141.259	O3	C5	H6	120.721
O3	C5	H7	121.860	H6	C5	H7	117.418

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

using model chemistry: CCSD(T)/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: CCSD(T)/3-21G

States and conformations

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