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	hartrees
Energy at 0K	-169.445922
Energy at 298.15K	-169.449875
HF Energy	-168.915418
Nuclear repulsion energy	70.241463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3857	3699
2	A'	3499	3356
3	A'	3057	2932
4	A'	1760	1688
5	A'	1424	1366
6	A'	1352	1297
7	A'	1205	1155
8	A'	1074	1030
9	A'	607	582
10	A"	1025	983
11	A"	828	794
12	A"	362	347

Atom	x (Å)	y (Å)
C1	0.000	0.379
O2	-1.013	-0.532
N3	1.210	-0.031
H4	-0.334	1.437
H5	-1.845	-0.039
H6	1.820	0.796

	C1	O2	N3	H4	H5	H6
C1		1.3625	1.2771	1.1091	1.8917	1.8670
O2	1.3625		2.2786	2.0823	0.9662	3.1290
N3	1.2771	2.2786		2.1299	3.0543	1.0280
H4	1.1091	2.0823	2.1299		2.1121	2.2471
H5	1.8917	0.9662	3.0543	2.1121		3.7587
H6	1.8670	3.1290	1.0280	2.2471	3.7587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	107.427	C1	N3	H6	107.692
O2	C1	N3	119.329	O2	C1	H4	114.414
N3	C1	H4	126.257

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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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