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	hartrees
Energy at 0K	-169.767161
Energy at 298.15K	-169.771000
HF Energy	-169.767161
Nuclear repulsion energy	69.649198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3590	3561	40.08
2	A'	3162	3136	9.05
3	A'	3041	3017	8.08
4	A'	1644	1631	2.43
5	A'	1430	1419	12.65
6	A'	1323	1313	79.45
7	A'	1152	1143	9.81
8	A'	855	848	109.90
9	A'	512	508	5.92
10	A"	907	900	31.40
11	A"	771	765	9.53
12	A"	427	423	120.37

Atom	x (Å)	y (Å)
C1	1.153	-0.023
N2	0.000	0.550
O3	-1.048	-0.424
H4	1.290	-1.113
H5	2.023	0.639
H6	-1.845	0.150

	C1	N2	O3	H4	H5	H6
C1		1.2874	2.2374	1.0987	1.0930	3.0025
N2	1.2874		1.4311	2.1047	2.0246	1.8875
O3	2.2374	1.4311		2.4376	3.2498	0.9819
H4	1.0987	2.1047	2.4376		1.8991	3.3796
H5	1.0930	2.0246	3.2498	1.8991		3.8981
H6	3.0025	1.8875	0.9819	3.3796	3.8981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.665	N2	C1	H4	123.597
N2	C1	H5	116.299	N2	O3	H6	101.291
H4	C1	H5	120.104

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: BLYP/6-31G*

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	-0.108
2	N	-0.113
3	O	-0.467
4	H	0.140
5	H	0.150
6	H	0.398

	x	y	z	Total
	0.087	-0.004	0.000	0.087
CHELPG
AIM
ESP

	x	y	z
x	5.459	-0.112	0.000
y	-0.112	2.966	0.000
z	0.000	0.000	1.457

<r²>	41.430
(<r²>)^1/2	6.437

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)