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	hartrees
Energy at 0K	-169.633249
Energy at 298.15K	-169.637213
HF Energy	-169.633249
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3837	3690	104.46
2	A'	3268	3143	3.35
3	A'	3125	3005	4.35
4	A'	1748	1681	5.79
5	A'	1437	1382	29.59
6	A'	1362	1309	73.47
7	A'	1182	1137	21.16
8	A'	989	951	119.76
9	A'	535	514	5.89
10	A"	962	925	32.71
11	A"	809	778	7.26
12	A"	456	438	126.23

Atom	x (Å)	y (Å)
C1	1.133	-0.048
N2	0.000	0.529
O3	-1.030	-0.383
H4	1.245	-1.140
H5	2.010	0.602
H6	-1.813	0.183

	C1	N2	O3	H4	H5	H6
C1		1.2715	2.1895	1.0980	1.0915	2.9551
N2	1.2715		1.3755	2.0819	2.0115	1.8453
O3	2.1895	1.3755		2.3980	3.1960	0.9654
H4	1.0980	2.0819	2.3980		1.9031	3.3315
H5	1.0915	2.0115	3.1960	1.9031		3.8457
H6	2.9551	1.8453	0.9654	3.3315	3.8457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.552	N2	C1	H4	122.783
N2	C1	H5	116.492	N2	O3	H6	102.637
H4	C1	H5	120.725

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: PBE1PBE/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	0.021
2	N	-0.109
3	O	-0.184
4	H	0.041
5	H	0.060
6	H	0.171

	x	y	z	Total
	-0.020	-0.021	0.000	0.029
CHELPG
AIM
ESP

	x	y	z
x	5.219	-0.200	0.000
y	-0.200	2.908	0.000
z	0.000	0.000	1.590

<r²>	40.150
(<r²>)^1/2	6.336

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)