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	hartrees
Energy at 0K	-169.678665
Energy at 298.15K	-169.682562
HF Energy	-169.678665
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3716	3543	56.72
2	A'	3311	3158	4.63
3	A'	3183	3035	1.01
4	A'	1726	1646	1.28
5	A'	1478	1410	10.21
6	A'	1346	1284	92.77
7	A'	1191	1136	5.90
8	A'	849	810	109.03
9	A'	508	485	7.69
10	A"	1025	978	55.67
11	A"	802	765	3.44
12	A"	438	417	200.86

Atom	x (Å)	y (Å)
C1	1.150	-0.003
N2	0.000	0.555
O3	-1.041	-0.440
H4	1.283	-1.080
H5	2.007	0.653
H6	-1.863	0.081

	C1	N2	O3	H4	H5	H6
C1		1.2779	2.2331	1.0850	1.0804	3.0136
N2	1.2779		1.4393	2.0783	2.0097	1.9221
O3	2.2331	1.4393		2.4103	3.2380	0.9735
H4	1.0850	2.0783	2.4103		1.8788	3.3536
H5	1.0804	2.0097	3.2380	1.8788		3.9122
H6	3.0136	1.9221	0.9735	3.3536	3.9122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.401	N2	C1	H4	122.972
N2	C1	H5	116.653	N2	O3	H6	103.943
H4	C1	H5	120.375

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B1B95/6-31G

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	-0.143
2	N	-0.108
3	O	-0.522
4	H	0.182
5	H	0.188
6	H	0.403

	x	y	z	Total
	0.349	0.052	0.000	0.353
CHELPG
AIM
ESP

	x	y	z
x	5.270	-0.076	0.000
y	-0.076	2.750	0.000
z	0.000	0.000	1.170

<r²>	41.326
(<r²>)^1/2	6.429

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)