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	hartrees
Energy at 0K	-169.811080
Energy at 298.15K	-169.814984
HF Energy	-169.811080
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3718	3568	54.56
2	A'	3261	3128	8.95
3	A'	3135	3008	7.51
4	A'	1716	1646	1.96
5	A'	1479	1419	12.50
6	A'	1370	1315	87.05
7	A'	1194	1145	12.23
8	A'	929	891	114.97
9	A'	520	499	6.11
10	A"	955	916	38.14
11	A"	802	770	7.98
12	A"	435	417	134.11

Atom	x (Å)	y (Å)
C1	1.142	-0.033
N2	0.000	0.541
O3	-1.037	-0.407
H4	1.267	-1.116
H5	2.009	0.619
H6	-1.829	0.158

	C1	N2	O3	H4	H5	H6
C1		1.2777	2.2104	1.0902	1.0848	2.9769
N2	1.2777		1.4049	2.0855	2.0101	1.8688
O3	2.2104	1.4049		2.4102	3.2138	0.9731
H4	1.0902	2.0855	2.4102		1.8870	3.3477
H5	1.0848	2.0101	3.2138	1.8870		3.8653
H6	2.9769	1.8688	0.9731	3.3477	3.8653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.884	N2	C1	H4	123.271
N2	C1	H5	116.374	N2	O3	H6	102.063
H4	C1	H5	120.355

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: TPSSh/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	-0.159
2	N	-0.118
3	O	-0.502
4	H	0.173
5	H	0.183
6	H	0.424

	x	y	z	Total
	0.120	-0.033	0.000	0.125
CHELPG
AIM
ESP

	x	y	z
x	5.272	-0.144	0.000
y	-0.144	2.893	0.000
z	0.000	0.000	1.454

<r²>	40.639
(<r²>)^1/2	6.375

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)