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	hartrees
Energy at 0K	-169.942240
Energy at 298.15K	-169.946240
HF Energy	-169.942240
Nuclear repulsion energy	70.782246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3811	3811	65.61
2	A'	3506	3506	6.88
3	A'	3025	3025	61.78
4	A'	1743	1743	198.75
5	A'	1411	1411	13.50
6	A'	1323	1323	160.54
7	A'	1182	1182	39.45
8	A'	1049	1049	219.56
9	A'	609	609	1.54
10	A"	1032	1032	2.42
11	A"	825	825	65.82
12	A"	419	419	60.95

Atom	x (Å)	y (Å)
C1	0.000	0.377
O2	-1.002	-0.536
N3	1.198	-0.014
H4	-0.344	1.418
H5	-1.851	-0.079
H6	1.828	0.785

	C1	O2	N3	H4	H5	H6
C1		1.3559	1.2598	1.0958	1.9060	1.8725
O2	1.3559		2.2608	2.0617	0.9639	3.1229
N3	1.2598	2.2608		2.1038	3.0489	1.0173
H4	1.0958	2.0617	2.1038		2.1235	2.2620
H5	1.9060	0.9639	3.0489	2.1235		3.7783
H6	1.8725	3.1229	1.0173	2.2620	3.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.327	C1	N3	H6	110.182
O2	C1	N3	119.562	O2	C1	H4	114.053
N3	C1	H4	126.385

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	0.097
2	O	-0.223
3	N	-0.259
4	H	0.036
5	H	0.203
6	H	0.147

	x	y	z	Total
	-2.071	3.063	0.000	3.698
CHELPG
AIM
ESP

	x	y	z
x	5.371	0.005	0.000
y	0.005	3.529	0.000
z	0.000	0.000	2.443

<r²>	41.339
(<r²>)^1/2	6.430