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	hartrees
Energy at 0K	-169.887196
Energy at 298.15K	-169.891103
HF Energy	-169.887196
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3777	3645	78.90
2	A'	3221	3109	4.12
3	A'	3093	2985	7.29
4	A'	1697	1638	6.19
5	A'	1451	1401	10.50
6	A'	1343	1296	79.98
7	A'	1173	1132	11.38
8	A'	905	874	128.88
9	A'	520	502	6.21
10	A"	973	939	35.30
11	A"	798	770	7.93
12	A"	423	408	119.67

Atom	x (Å)	y (Å)
C1	1.140	-0.023
N2	0.000	0.537
O3	-1.035	-0.412
H4	1.272	-1.103
H5	1.997	0.639
H6	-1.827	0.140

	C1	N2	O3	H4	H5	H6
C1		1.2696	2.2095	1.0881	1.0824	2.9710
N2	1.2696		1.4042	2.0751	1.9993	1.8692
O3	2.2095	1.4042		2.4086	3.2088	0.9655
H4	1.0881	2.0751	2.4086		1.8859	3.3391
H5	1.0824	1.9993	3.2088	1.8859		3.8558
H6	2.9710	1.8692	0.9655	3.3391	3.8558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.358	N2	C1	H4	123.133
N2	C1	H5	116.208	N2	O3	H6	102.572
H4	C1	H5	120.659

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: TPSSh/aug-cc-pVTZ

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	-0.252
2	N	-0.217
3	O	-0.260
4	H	0.291
5	H	0.279
6	H	0.161

	x	y	z	Total
	0.299	-0.145	0.000	0.332
CHELPG
AIM
ESP

	x	y	z
x	6.119	-0.028	0.000
y	-0.028	3.932	0.000
z	0.000	0.000	3.031

<r²>	40.886
(<r²>)^1/2	6.394

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)