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	hartrees
Energy at 0K	-33.243302
Energy at 298.15K	-33.247184
HF Energy	-33.243302
Nuclear repulsion energy	39.312166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3821	3821	35.14
2	A'	3555	3555	7.18
3	A'	3067	3067	101.66
4	A'	1728	1728	185.72
5	A'	1413	1413	8.96
6	A'	1265	1265	134.15
7	A'	1158	1158	47.61
8	A'	1006	1006	336.58
9	A'	597	597	2.74
10	A"	1042	1042	0.91
11	A"	821	821	107.82
12	A"	333	333	110.47

Atom	x (Å)	y (Å)
C1	0.000	0.396
O2	-1.024	-0.545
N3	1.221	-0.011
H4	-0.346	1.445
H5	-1.910	-0.134
H6	1.903	0.758

	C1	O2	N3	H4	H5	H6
C1		1.3910	1.2871	1.1051	1.9820	1.9373
O2	1.3910		2.3082	2.1030	0.9764	3.2046
N3	1.2871	2.3082		2.1393	3.1335	1.0281
H4	1.1051	2.1030	2.1393		2.2226	2.3516
H5	1.9820	0.9764	3.1335	2.2226		3.9160
H6	1.9373	3.2046	1.0281	2.3516	3.9160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	112.517	C1	N3	H6	113.129
O2	C1	N3	119.008	O2	C1	H4	114.328
N3	C1	H4	126.663

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: wB97X-D/CEP-31G

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	-0.372
2	O	-0.316
3	N	-0.062
4	H	0.177
5	H	0.351
6	H	0.221

	x	y	z	Total
	-2.118	4.275	0.000	4.771
CHELPG
AIM
ESP

	x	y	z
x	5.119	0.023	0.000
y	0.023	2.761	0.000
z	0.000	0.000	1.557

<r²>	36.761
(<r²>)^1/2	6.063