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	hartrees
Energy at 0K	-168.961965
Energy at 298.15K	-168.965911
HF Energy	-168.961965
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3705	3663	107.72
2	A'	3182	3146	1.37
3	A'	3026	2992	5.63
4	A'	1688	1669	16.50
5	A'	1371	1356	29.56
6	A'	1297	1282	72.11
7	A'	1129	1117	23.25
8	A'	966	955	123.27
9	A'	526	520	6.94
10	A"	914	904	35.25
11	A"	776	767	14.94
12	A"	485	479	121.33

Atom	x (Å)	y (Å)
C1	1.137	-0.048
N2	0.000	0.528
O3	-1.031	-0.381
H4	1.240	-1.149
H5	2.015	0.610
H6	-1.828	0.182

	C1	N2	O3	H4	H5	H6
C1		1.2742	2.1929	1.1059	1.0980	2.9740
N2	1.2742		1.3741	2.0855	2.0169	1.8609
O3	2.1929	1.3741		2.3972	3.2033	0.9762
H4	1.1059	2.0855	2.3972		1.9229	3.3447
H5	1.0980	2.0169	3.2033	1.9229		3.8675
H6	2.9740	1.8609	0.9762	3.3447	3.8675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.743	N2	C1	H4	122.224
N2	C1	H5	116.278	N2	O3	H6	103.405
H4	C1	H5	121.498

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: LSDA/aug-cc-pVDZ

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	0.621
2	N	0.032
3	O	-0.319
4	H	-0.197
5	H	-0.264
6	H	0.127

	x	y	z	Total
	0.027	-0.193	0.000	0.195
CHELPG
AIM
ESP

	x	y	z
x	6.258	-0.115	0.000
y	-0.115	4.086	0.000
z	0.000	0.000	3.091

<r²>	40.748
(<r²>)^1/2	6.383

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)