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	hartrees
Energy at 0K	-169.832901
Energy at 298.15K	-169.836902
HF Energy	-169.619091
Nuclear repulsion energy	70.921568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3860	3860	82.37
2	A'	3551	3551	10.92
3	A'	3068	3068	52.88
4	A'	1747	1747	191.94
5	A'	1422	1422	12.96
6	A'	1333	1333	165.76
7	A'	1194	1194	41.71
8	A'	1058	1058	216.78
9	A'	620	620	1.40
10	A"	1042	1042	2.65
11	A"	832	832	64.05
12	A"	406	406	65.81

Atom	x (Å)	y (Å)
C1	0.000	0.375
O2	-1.002	-0.534
N3	1.197	-0.014
H4	-0.338	1.413
H5	-1.847	-0.079
H6	1.823	0.782

	C1	O2	N3	H4	H5	H6
C1		1.3530	1.2583	1.0915	1.9021	1.8684
O2	1.3530		2.2593	2.0571	0.9599	3.1170
N3	1.2583	2.2593		2.0955	3.0445	1.0133
H4	1.0915	2.0571	2.0955		2.1221	2.2516
H5	1.9021	0.9599	3.0445	2.1221		3.7703
H6	1.8684	3.1170	1.0133	2.2516	3.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.474	C1	N3	H6	110.208
O2	C1	N3	119.768	O2	C1	H4	114.184
N3	C1	H4	126.048

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B2PLYP=FULL/Def2TZVPP

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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