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	hartrees
Energy at 0K	-169.774262
Energy at 298.15K	-169.778231
HF Energy	-169.774262
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3867	3704	96.74
2	A'	3275	3137	3.28
3	A'	3133	3001	5.60
4	A'	1746	1672	7.47
5	A'	1444	1383	22.28
6	A'	1362	1304	77.05
7	A'	1178	1128	16.27
8	A'	968	927	125.45
9	A'	533	511	6.43
10	A"	984	942	35.45
11	A"	803	770	7.69
12	A"	459	440	126.66

Atom	x (Å)	y (Å)
C1	1.134	-0.038
N2	0.000	0.531
O3	-1.029	-0.392
H4	1.246	-1.124
H5	2.002	0.616
H6	-1.820	0.154

	C1	N2	O3	H4	H5	H6
C1		1.2686	2.1917	1.0926	1.0866	2.9600
N2	1.2686		1.3826	2.0722	2.0039	1.8586
O3	2.1917	1.3826		2.3899	3.1942	0.9614
H4	1.0926	2.0722	2.3899		1.8972	3.3219
H5	1.0866	2.0039	3.1942	1.8972		3.8498
H6	2.9600	1.8586	0.9614	3.3219	3.8498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.446	N2	C1	H4	122.539
N2	C1	H5	116.398	N2	O3	H6	103.454
H4	C1	H5	121.062

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B1B95/aug-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	0.774
2	N	-0.033
3	O	-0.388
4	H	-0.200
5	H	-0.275
6	H	0.121

	x	y	z	Total
	0.240	-0.160	0.000	0.288
CHELPG
AIM
ESP

	x	y	z
x	5.931	-0.092	0.000
y	-0.092	3.808	0.000
z	0.000	0.000	2.922

<r²>	40.486
(<r²>)^1/2	6.363

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)