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	hartrees
Energy at 0K	-167.560842
Energy at 298.15K	-167.564615
HF Energy	-167.560842
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3682	3286	11.41
2	A'	3521	3142	2.16
3	A'	3342	2983	17.95
4	A'	1714	1530	3.65
5	A'	1542	1376	12.47
6	A'	1442	1286	43.68
7	A'	1238	1105	10.26
8	A'	1034	923	32.85
9	A'	503	449	3.16
10	A"	930	830	33.51
11	A"	799	713	1.65
12	A"	467	417	67.15

Atom	x (Å)	y (Å)
C1	1.170	-0.051
N2	0.000	0.575
O3	-1.063	-0.422
H4	1.290	-1.147
H5	2.070	0.581
H6	-1.874	0.218

	C1	N2	O3	H4	H5	H6
C1		1.3268	2.2638	1.1026	1.0990	3.0558
N2	1.3268		1.4574	2.1515	2.0695	1.9078
O3	2.2638	1.4574		2.4624	3.2892	1.0325
H4	1.1026	2.1515	2.4624		1.8952	3.4456
H5	1.0990	2.0695	3.2892	1.8952		3.9602
H6	3.0558	1.9078	1.0325	3.4456	3.9602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	108.709	N2	C1	H4	124.386
N2	C1	H5	116.794	N2	O3	H6	98.593
H4	C1	H5	118.820

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3LYP/STO-3G

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	-0.086
2	N	-0.130
3	O	-0.163
4	H	0.087
5	H	0.092
6	H	0.200

	x	y	z	Total
	-0.227	-0.236	0.000	0.328
CHELPG
AIM
ESP

	x	y	z
x	3.992	-0.158	0.000
y	-0.158	1.497	0.000
z	0.000	0.000	0.460

<r²>	41.758
(<r²>)^1/2	6.462

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)