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	hartrees
Energy at 0K	-168.939904
Energy at 298.15K	-168.943839
HF Energy	-168.939904
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3683	3642	112.93
2	A'	3178	3144	1.86
3	A'	3022	2988	5.66
4	A'	1692	1673	12.50
5	A'	1362	1347	34.69
6	A'	1293	1278	70.81
7	A'	1135	1122	31.51
8	A'	983	972	110.83
9	A'	519	513	6.01
10	A"	893	883	29.67
11	A"	780	771	16.60
12	A"	483	478	119.24

Atom	x (Å)	y (Å)
C1	1.134	-0.058
N2	0.000	0.526
O3	-1.030	-0.372
H4	1.233	-1.162
H5	2.021	0.594
H6	-1.817	0.209

	C1	N2	O3	H4	H5	H6
C1		1.2758	2.1875	1.1088	1.1004	2.9634
N2	1.2758		1.3672	2.0907	2.0220	1.8446
O3	2.1875	1.3672		2.3975	3.2007	0.9780
H4	1.1088	2.0907	2.3975		1.9246	3.3442
H5	1.1004	2.0220	3.2007	1.9246		3.8573
H6	2.9634	1.8446	0.9780	3.3442	3.8573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.672	N2	C1	H4	122.357
N2	C1	H5	116.441	N2	O3	H6	102.452
H4	C1	H5	121.201

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: LSDA/cc-pVDZ

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	-0.070
2	N	-0.086
3	O	-0.164
4	H	0.052
5	H	0.077
6	H	0.190

	x	y	z	Total
	-0.307	-0.003	0.000	0.307
CHELPG
AIM
ESP

	x	y	z
x	5.391	-0.219	0.000
y	-0.219	3.044	0.000
z	0.000	0.000	1.608

<r²>	40.227
(<r²>)^1/2	6.342

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)