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	hartrees
Energy at 0K	-168.687117
Energy at 298.15K	-168.690987
HF Energy	-168.687117
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3548	3418	32.62
2	A'	3266	3146	5.48
3	A'	3153	3038	0.74
4	A'	1682	1621	1.90
5	A'	1477	1423	9.05
6	A'	1346	1297	92.27
7	A'	1187	1143	6.55
8	A'	908	874	77.78
9	A'	508	489	9.21
10	A"	1009	972	61.73
11	A"	804	775	3.08
12	A"	391	377	165.23

Atom	x (Å)	y (Å)
C1	1.149	0.007
N2	0.000	0.567
O3	-1.042	-0.462
H4	1.286	-1.071
H5	2.016	0.657
H6	-1.861	0.098

	C1	N2	O3	H4	H5	H6
C1		1.2787	2.2408	1.0866	1.0834	3.0116
N2	1.2787		1.4641	2.0826	2.0175	1.9189
O3	2.2408	1.4641		2.4063	3.2558	0.9919
H4	1.0866	2.0826	2.4063		1.8764	3.3570
H5	1.0834	2.0175	3.2558	1.8764		3.9164
H6	3.0116	1.9189	0.9919	3.3570	3.9164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	109.381	N2	C1	H4	123.205
N2	C1	H5	117.093	N2	O3	H6	101.006
H4	C1	H5	119.702

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HSEh1PBE/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	-0.179
2	N	-0.217
3	O	-0.454
4	H	0.230
5	H	0.238
6	H	0.382

	x	y	z	Total
	0.214	0.056	0.000	0.221
CHELPG
AIM
ESP

	x	y	z
x	5.123	-0.054	0.000
y	-0.054	2.516	0.000
z	0.000	0.000	0.960

<r²>	41.500
(<r²>)^1/2	6.442

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)