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	hartrees
Energy at 0K	-169.682091
Energy at 298.15K	-169.686069
HF Energy	-168.980053
Nuclear repulsion energy	70.801096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3864	3864
2	A'	3534	3534
3	A'	3070	3070
4	A'	1744	1744
5	A'	1420	1420
6	A'	1341	1341
7	A'	1199	1199
8	A'	1063	1063
9	A'	613	613
10	A"	1034	1034
11	A"	832	832
12	A"	386	386

Atom	x (Å)	y (Å)
C1	0.000	0.377
O2	-1.005	-0.533
N3	1.199	-0.019
H4	-0.333	1.416
H5	-1.842	-0.066
H6	1.816	0.787

	C1	O2	N3	H4	H5	H6
C1		1.3558	1.2631	1.0908	1.8948	1.8617
O2	1.3558		2.2634	2.0614	0.9594	3.1144
N3	1.2631	2.2634		2.0993	3.0422	1.0147
H4	1.0908	2.0614	2.0993		2.1147	2.2393
H5	1.8948	0.9594	3.0422	2.1147		3.7564
H6	1.8617	3.1144	1.0147	2.2393	3.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.647	C1	N3	H6	109.151
O2	C1	N3	119.554	O2	C1	H4	114.392
N3	C1	H4	126.054

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: QCISD(T)=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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