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	hartrees
Energy at 0K	-169.658632
Energy at 298.15K	-169.662652
HF Energy	-168.972830
Nuclear repulsion energy	71.136638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3935	3935	88.04
2	A'	3590	3590	11.26
3	A'	3112	3112	36.97
4	A'	1789	1789	204.43
5	A'	1449	1449	14.27
6	A'	1360	1360	170.21
7	A'	1213	1213	39.98
8	A'	1085	1085	201.74
9	A'	624	624	1.21
10	A"	1061	1061	2.97
11	A"	850	850	60.95
12	A"	401	401	71.23

Atom	x (Å)	y (Å)
C1	0.000	0.373
O2	-1.001	-0.527
N3	1.194	-0.019
H4	-0.327	1.413
H5	-1.842	-0.073
H6	1.818	0.778

	C1	O2	N3	H4	H5	H6
C1		1.3462	1.2565	1.0904	1.8952	1.8626
O2	1.3462		2.2523	2.0546	0.9559	3.1062
N3	1.2565	2.2523		2.0890	3.0359	1.0126
H4	1.0904	2.0546	2.0890		2.1229	2.2368
H5	1.8952	0.9559	3.0359	2.1229		3.7576
H6	1.8626	3.1062	1.0126	2.2368	3.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.658	C1	N3	H6	109.871
O2	C1	N3	119.812	O2	C1	H4	114.561
N3	C1	H4	125.627

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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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