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	hartrees
Energy at 0K	-169.743337
Energy at 298.15K	-169.747313
HF Energy	-169.743337
Nuclear repulsion energy	70.466959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3738	3738	61.72
2	A'	3453	3453	10.95
3	A'	2938	2938	63.26
4	A'	1699	1699	204.55
5	A'	1359	1359	9.84
6	A'	1283	1283	158.68
7	A'	1149	1149	28.47
8	A'	1016	1016	220.04
9	A'	599	599	1.89
10	A"	986	986	1.73
11	A"	797	797	68.45
12	A"	429	429	57.12

Atom	x (Å)	y (Å)
C1	0.000	0.378
O2	-1.007	-0.535
N3	1.202	-0.018
H4	-0.345	1.428
H5	-1.857	-0.067
H6	1.841	0.782

	C1	O2	N3	H4	H5	H6
C1		1.3597	1.2662	1.1052	1.9096	1.8843
O2	1.3597		2.2692	2.0723	0.9704	3.1374
N3	1.2662	2.2692		2.1183	3.0598	1.0233
H4	1.1052	2.0723	2.1183		2.1266	2.2792
H5	1.9096	0.9704	3.0598	2.1266		3.7937
H6	1.8843	3.1374	1.0233	2.2792	3.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.929	C1	N3	H6	110.319
O2	C1	N3	119.527	O2	C1	H4	114.032
N3	C1	H4	126.441

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: PBEPBEultrafine/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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Number	Element	Mulliken
1	C	0.690
2	O	-0.448
3	N	-0.774
4	H	0.118
5	H	0.234
6	H	0.179

	x	y	z	Total
	-2.040	3.011	0.000	3.637
CHELPG
AIM
ESP

	x	y	z
x	5.889	-0.035	0.000
y	-0.035	4.049	0.000
z	0.000	0.000	3.002

<r²>	41.851
(<r²>)^1/2	6.469