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	hartrees
Energy at 0K	-190.941333
Energy at 298.15K	-190.944632
HF Energy	-190.941333
Nuclear repulsion energy	69.380585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3841	3706	49.21
2	A	3673	3544	149.35
3	A	3005	2899	63.36
4	A	2920	2818	76.54
5	A	1796	1733	82.80
6	A	1699	1640	55.13
7	A	1528	1475	16.74
8	A	1274	1229	6.59
9	A	1216	1173	3.33
10	A	602	580	196.12
11	A	328	316	52.21
12	A	233	225	41.79
13	A	203	195	74.89
14	A	195	188	30.87
15	A	147	142	27.82

Atom	x (Å)	y (Å)	z (Å)
H1	1.042	-0.499	-0.084
O2	1.809	0.098	-0.104
O3	-0.946	-0.679	0.007
H4	2.146	0.052	0.798
C5	-1.228	0.498	0.007
H6	-0.444	1.276	0.008
H7	-2.281	0.839	0.008

	H1	O2	O3	H4	C5	H6	H7
H1		0.9721	1.9980	1.5169	2.4806	2.3167	3.5833
O2	0.9721		2.8644	0.9641	3.0648	2.5446	4.1579
O3	1.9980	2.8644		3.2746	1.2104	2.0188	2.0216
H4	1.5169	0.9641	3.2746		3.4944	2.9721	4.5659
C5	2.4806	3.0648	1.2104	3.4944		1.1046	1.1071
H6	2.3167	2.5446	2.0188	2.9721	1.1046		1.8886
H7	3.5833	4.1579	2.0216	4.5659	1.1071	1.8886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.153	H1	O3	C5	98.276
O2	H1	O3	147.272	O3	C5	H6	121.325
O3	C5	H7	121.392	H6	C5	H7	117.284

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

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

States and conformations

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