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	hartrees
Energy at 0K	-169.868279
Energy at 298.15K	-169.872298
HF Energy	-169.868279
Nuclear repulsion energy	71.059835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3882	3716	83.09
2	A'	3556	3404	13.71
3	A'	3031	2902	53.76
4	A'	1764	1688	224.49
5	A'	1414	1354	12.78
6	A'	1327	1270	175.97
7	A'	1187	1137	31.35
8	A'	1057	1012	215.43
9	A'	620	593	1.50
10	A"	1038	993	2.21
11	A"	828	793	65.79
12	A"	423	405	65.08

Atom	x (Å)	y (Å)
C1	0.000	0.372
O2	-1.000	-0.530
N3	1.194	-0.015
H4	-0.337	1.415
H5	-1.846	-0.077
H6	1.826	0.779

	C1	O2	N3	H4	H5	H6
C1		1.3472	1.2555	1.0963	1.8999	1.8706
O2	1.3472		2.2540	2.0556	0.9597	3.1145
N3	1.2555	2.2540		2.0956	3.0409	1.0147
H4	1.0963	2.0556	2.0956		2.1222	2.2547
H5	1.8999	0.9597	3.0409	2.1222		3.7703
H6	1.8706	3.1145	1.0147	2.2547	3.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.748	C1	N3	H6	110.523
O2	C1	N3	119.961	O2	C1	H4	114.153
N3	C1	H4	125.887

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B3PW91/6-311+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	0.741
2	O	-0.475
3	N	-0.813
4	H	0.131
5	H	0.232
6	H	0.184

	x	y	z	Total
	-2.101	3.111	0.000	3.754
CHELPG
AIM
ESP

	x	y	z
x	5.504	-0.022	0.000
y	-0.022	3.774	0.000
z	0.000	0.000	2.857

<r²>	41.226
(<r²>)^1/2	6.421