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	hartrees
Energy at 0K	-169.521475
Energy at 298.15K	-169.525520
HF Energy	-168.973657
Nuclear repulsion energy	71.467093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4038	3754	101.69
2	A'	3676	3418	11.90
3	A'	3176	2953	45.15
4	A'	1854	1723	213.79
5	A'	1493	1388	19.59
6	A'	1395	1297	177.11
7	A'	1245	1158	46.38
8	A'	1116	1037	201.05
9	A'	641	596	0.96
10	A"	1111	1033	4.17
11	A"	874	812	57.23
12	A"	390	363	73.23

Atom	x (Å)	y (Å)
C1	0.000	0.368
O2	-0.996	-0.531
N3	1.190	-0.010
H4	-0.331	1.401
H5	-1.832	-0.082
H6	1.800	0.790

	C1	O2	N3	H4	H5	H6
C1		1.3420	1.2486	1.0849	1.8866	1.8484
O2	1.3420		2.2470	2.0439	0.9496	3.0919
N3	1.2486	2.2470		2.0750	3.0229	1.0056
H4	1.0849	2.0439	2.0750		2.1101	2.2169
H5	1.8866	0.9496	3.0229	2.1101		3.7349
H6	1.8484	3.0919	1.0056	2.2169	3.7349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.633	C1	N3	H6	109.697
O2	C1	N3	120.269	O2	C1	H4	114.328
N3	C1	H4	125.404

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: CISD/cc-pVTZ

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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