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	hartrees
Energy at 0K	-190.805003
Energy at 298.15K	-190.807818
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3775	3738	76.29
2	A	3545	3509	321.09
3	A	2898	2869	72.95
4	A	2830	2802	74.93
5	A	1741	1723	90.95
6	A	1608	1592	71.59
7	A	1476	1461	19.08
8	A	1226	1214	6.66
9	A	1158	1147	6.80
10	A	526	520	72.48
11	A	366	362	101.07
12	A	182	180	31.15
13	A	168	166	0.12
14	A	75	74	36.98
15	A	63	62	119.99

Atom	x (Å)	y (Å)	z (Å)
H1	1.049	-0.370	-0.011
O2	1.852	0.190	-0.029
O3	-0.884	-0.671	-0.007
H4	2.578	-0.412	0.195
C5	-1.363	0.445	0.011
H6	-0.723	1.355	0.041
H7	-2.466	0.601	-0.002

	H1	O2	O3	H4	C5	H6	H7
H1		0.9799	1.9562	1.5442	2.5464	2.4738	3.6469
O2	0.9799		2.8689	0.9690	3.2262	2.8277	4.3385
O3	1.9562	2.8689		3.4783	1.2146	2.0330	2.0299
H4	1.5442	0.9690	3.4783		4.0381	3.7477	5.1492
C5	2.5464	3.2262	1.2146	4.0381		1.1132	1.1140
H6	2.4738	2.8277	2.0330	3.7477	1.1132		1.9001
H7	3.6469	4.3385	2.0299	5.1492	1.1140	1.9001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.809	H1	O3	C5	104.406
O2	H1	O3	153.938	O3	C5	H6	121.637
O3	C5	H7	121.254	H6	C5	H7	117.109

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

using model chemistry: PBEPBE_cp_opt/aug-cc-pVTZ

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: PBEPBE_cp_opt/aug-cc-pVTZ

States and conformations

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