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	hartrees
Energy at 0K	-189.978262
Energy at 298.15K	-189.980887
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4231	3850	147.89
2	A	4104	3735	119.88
3	A	3186	2900	64.66
4	A	3105	2826	58.35
5	A	1984	1806	155.16
6	A	1761	1603	99.87
7	A	1650	1502	31.93
8	A	1376	1252	19.13
9	A	1348	1227	3.82
10	A	452	411	123.14
11	A	328	298	103.35
12	A	148	135	30.64
13	A	144	131	0.01
14	A	65	59	48.12
15	A	61	56	156.09

Atom	x (Å)	y (Å)	z (Å)
H1	-1.177	-0.402	-0.000
O2	-1.923	0.176	-0.000
O3	0.955	-0.653	-0.000
H4	-2.687	-0.370	0.001
C5	1.397	0.441	0.000
H6	0.753	1.321	0.000
H7	2.473	0.622	0.000

	H1	O2	O3	H4	C5	H6	H7
H1		0.9439	2.1460	1.5106	2.7085	2.5871	3.7909
O2	0.9439		2.9942	0.9392	3.3301	2.9099	4.4183
O3	2.1460	2.9942		3.6526	1.1804	1.9844	1.9828
H4	1.5106	0.9392	3.6526		4.1637	3.8327	5.2546
C5	2.7085	3.3301	1.1804	4.1637		1.0904	1.0913
H6	2.5871	2.9099	1.9844	3.8327	1.0904		1.8572
H7	3.7909	4.4183	1.9828	5.2546	1.0913	1.8572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.677	H1	O3	C5	105.307
O2	H1	O3	148.907	O3	C5	H6	121.768
O3	C5	H7	121.532	H6	C5	H7	116.700

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

using model chemistry: HF_cp_opt/6-311+G(3df,2pd)

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: HF_cp_opt/6-311+G(3df,2pd)

States and conformations

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