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	hartrees
Energy at 0K	-168.864852
Energy at 298.15K	-168.868691
HF Energy	-168.864852
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3478	3356	20.19
2	A'	3239	3125	7.15
3	A'	3131	3021	1.27
4	A'	1658	1599	1.77
5	A'	1476	1424	6.70
6	A'	1332	1285	87.07
7	A'	1179	1137	6.58
8	A'	879	848	73.93
9	A'	503	485	8.46
10	A"	999	964	55.26
11	A"	795	767	2.76
12	A"	378	365	154.37

Atom	x (Å)	y (Å)
C1	1.153	0.014
N2	0.000	0.573
O3	-1.046	-0.474
H4	1.296	-1.063
H5	2.019	0.666
H6	-1.868	0.089

	C1	N2	O3	H4	H5	H6
C1		1.2814	2.2525	1.0865	1.0835	3.0224
N2	1.2814		1.4796	2.0866	2.0209	1.9300
O3	2.2525	1.4796		2.4142	3.2697	0.9966
H4	1.0865	2.0866	2.4142		1.8742	3.3668
H5	1.0835	2.0209	3.2697	1.8742		3.9297
H6	3.0224	1.9300	0.9966	3.3668	3.9297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	109.130	N2	C1	H4	123.365
N2	C1	H5	117.174	N2	O3	H6	100.599
H4	C1	H5	119.461

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3LYP/3-21G

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	-0.140
2	N	-0.211
3	O	-0.437
4	H	0.207
5	H	0.215
6	H	0.366

	x	y	z	Total
	0.237	0.071	0.000	0.248
CHELPG
AIM
ESP

	x	y	z
x	5.216	-0.030	0.000
y	-0.030	2.544	0.000
z	0.000	0.000	0.957

<r²>	41.829
(<r²>)^1/2	6.468

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)