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	hartrees
Energy at 0K	-169.742447
Energy at 298.15K	-169.746473
HF Energy	-169.742447
Nuclear repulsion energy	71.173806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3912	3912	88.92
2	A'	3579	3579	15.16
3	A'	3046	3046	51.71
4	A'	1780	1780	231.58
5	A'	1419	1419	14.63
6	A'	1335	1335	180.02
7	A'	1194	1194	28.01
8	A'	1067	1067	213.14
9	A'	623	623	1.54
10	A"	1044	1044	2.23
11	A"	833	833	66.07
12	A"	425	425	66.06

Atom	x (Å)	y (Å)
C1	0.000	0.371
O2	-0.999	-0.527
N3	1.192	-0.018
H4	-0.334	1.415
H5	-1.843	-0.073
H6	1.823	0.776

	C1	O2	N3	H4	H5	H6
C1		1.3437	1.2543	1.0965	1.8958	1.8678
O2	1.3437		2.2501	2.0534	0.9582	3.1089
N3	1.2543	2.2501		2.0939	3.0359	1.0139
H4	1.0965	2.0534	2.0939		2.1197	2.2503
H5	1.8958	0.9582	3.0359	2.1197		3.7634
H6	1.8678	3.1089	1.0139	2.2503	3.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.755	C1	N3	H6	110.424
O2	C1	N3	119.978	O2	C1	H4	114.223
N3	C1	H4	125.800

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: PBE1PBE/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	0.798
2	O	-0.485
3	N	-0.837
4	H	0.122
5	H	0.227
6	H	0.175

	x	y	z	Total
	-2.113	3.125	0.000	3.772
CHELPG
AIM
ESP

	x	y	z
x	5.469	-0.032	0.000
y	-0.032	3.761	0.000
z	0.000	0.000	2.856

<r²>	41.148
(<r²>)^1/2	6.415