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	hartrees
Energy at 0K	-169.615939
Energy at 298.15K	-169.619899
HF Energy	-169.615939
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3817	3638	76.43
2	A'	3284	3130	5.88
3	A'	3156	3008	5.00
4	A'	1761	1679	2.73
5	A'	1481	1411	25.18
6	A'	1391	1326	84.88
7	A'	1208	1151	17.37
8	A'	990	943	114.07
9	A'	538	513	6.57
10	A"	969	924	38.27
11	A"	813	774	7.24
12	A"	450	429	141.54

Atom	x (Å)	y (Å)
C1	1.135	-0.041
N2	0.000	0.531
O3	-1.031	-0.390
H4	1.252	-1.125
H5	2.005	0.606
H6	-1.818	0.171

	C1	N2	O3	H4	H5	H6
C1		1.2705	2.1934	1.0908	1.0851	2.9601
N2	1.2705		1.3823	2.0765	2.0068	1.8533
O3	2.1934	1.3823		2.3988	3.1956	0.9667
H4	1.0908	2.0765	2.3988		1.8883	3.3330
H5	1.0851	2.0068	3.1956	1.8883		3.8481
H6	2.9601	1.8533	0.9667	3.3330	3.8481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.473	N2	C1	H4	122.956
N2	C1	H5	116.630	N2	O3	H6	102.734
H4	C1	H5	120.414

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: PBE1PBE/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	-0.187
2	N	-0.106
3	O	-0.514
4	H	0.181
5	H	0.192
6	H	0.435

	x	y	z	Total
	0.058	-0.036	0.000	0.068
CHELPG
AIM
ESP

	x	y	z
x	5.120	-0.182	0.000
y	-0.182	2.830	0.000
z	0.000	0.000	1.451

<r²>	40.183
(<r²>)^1/2	6.339

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)