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	hartrees
Energy at 0K	-169.655026
Energy at 298.15K	-169.659024
HF Energy	-168.981013
Nuclear repulsion energy	71.091473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3914	3914	83.59
2	A'	3575	3575	8.94
3	A'	3098	3098	41.06
4	A'	1790	1790	186.03
5	A'	1448	1448	15.78
6	A'	1361	1361	161.48
7	A'	1218	1218	42.34
8	A'	1084	1084	203.94
9	A'	625	625	1.10
10	A"	1063	1063	3.31
11	A"	847	847	58.98
12	A"	382	382	69.20

Atom	x (Å)	y (Å)
C1	0.000	0.373
O2	-1.000	-0.533
N3	1.195	-0.014
H4	-0.331	1.411
H5	-1.839	-0.074
H6	1.808	0.790

	C1	O2	N3	H4	H5	H6
C1		1.3499	1.2560	1.0889	1.8927	1.8557
O2	1.3499		2.2555	2.0558	0.9561	3.1046
N3	1.2560	2.2555		2.0876	3.0343	1.0114
H4	1.0889	2.0558	2.0876		2.1163	2.2277
H5	1.8927	0.9561	3.0343	2.1163		3.7483
H6	1.8557	3.1046	1.0114	2.2277	3.7483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.127	C1	N3	H6	109.382
O2	C1	N3	119.843	O2	C1	H4	114.489
N3	C1	H4	125.667

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: CCSD=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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