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	hartrees
Energy at 0K	-190.532632
Energy at 298.15K	-190.535449
HF Energy	-189.970972
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	68.627903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3948	3743	98.17
2	A	3777	3580	145.84
3	A	3114	2951	65.85
4	A	3020	2863	53.65
5	A	1756	1665	50.67
6	A	1641	1556	70.78
7	A	1575	1493	20.50
8	A	1304	1236	7.14
9	A	1224	1161	4.87
10	A	490	465	141.43
11	A	344	326	126.05
12	A	177	168	34.53
13	A	165	156	0.37
14	A	104	99	46.61
15	A	63	59	161.25

Atom	x (Å)	y (Å)	z (Å)
H1	1.102	-0.446	-0.066
O2	1.857	0.156	-0.070
O3	-0.943	-0.679	-0.010
H4	2.492	-0.260	0.516
C5	-1.318	0.476	0.020
H6	-0.606	1.310	0.045
H7	-2.388	0.728	0.026

	H1	O2	O3	H4	C5	H6	H7
H1		0.9652	2.0596	1.5179	2.5919	2.4527	3.6833
O2	0.9652		2.9225	0.9589	3.1927	2.7225	4.2840
O3	2.0596	2.9225		3.5005	1.2144	2.0180	2.0164
H4	1.5179	0.9589	3.5005		3.9122	3.5048	5.0024
C5	2.5919	3.1927	1.2144	3.9122		1.0973	1.0985
H6	2.4527	2.7225	2.0180	3.5048	1.0973		1.8743
H7	3.6833	4.2840	2.0164	5.0024	1.0985	1.8743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.164	H1	O3	C5	101.544
O2	H1	O3	147.889	O3	C5	H6	121.526
O3	C5	H7	121.263	H6	C5	H7	117.210

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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