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	hartrees
Energy at 0K	-169.598700
Energy at 298.15K	-169.602690
HF Energy	-168.980595
Nuclear repulsion energy	70.932188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3909	3909	81.49
2	A'	3568	3568	8.40
3	A'	3098	3098	42.60
4	A'	1779	1779	183.93
5	A'	1442	1442	15.49
6	A'	1357	1357	158.64
7	A'	1214	1214	43.91
8	A'	1079	1079	201.90
9	A'	622	622	1.10
10	A"	1055	1055	3.41
11	A"	843	843	59.00
12	A"	380	380	68.35

Atom	x (Å)	y (Å)
C1	0.000	0.375
O2	-1.003	-0.534
N3	1.197	-0.015
H4	-0.333	1.414
H5	-1.842	-0.073
H6	1.813	0.790

	C1	O2	N3	H4	H5	H6
C1		1.3531	1.2594	1.0911	1.8951	1.8597
O2	1.3531		2.2604	2.0597	0.9572	3.1111
N3	1.2594	2.2604		2.0938	3.0396	1.0132
H4	1.0911	2.0597	2.0938		2.1181	2.2346
H5	1.8951	0.9572	3.0396	2.1181		3.7548
H6	1.8597	3.1111	1.0132	2.2346	3.7548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.020	C1	N3	H6	109.362
O2	C1	N3	119.775	O2	C1	H4	114.427
N3	C1	H4	125.797

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: QCISD/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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