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	hartrees
Energy at 0K	-169.741979
Energy at 298.15K	-169.745917
HF Energy	-169.741979
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3788	3624	71.17
2	A'	3266	3124	6.93
3	A'	3140	3004	5.98
4	A'	1742	1666	2.57
5	A'	1475	1412	21.83
6	A'	1382	1322	85.81
7	A'	1200	1148	15.10
8	A'	968	926	115.08
9	A'	534	511	6.58
10	A"	961	920	37.99
11	A"	807	772	7.34
12	A"	448	429	140.45

Atom	x (Å)	y (Å)
C1	1.138	-0.038
N2	0.000	0.533
O3	-1.034	-0.395
H4	1.261	-1.122
H5	2.007	0.612
H6	-1.822	0.167

	C1	N2	O3	H4	H5	H6
C1		1.2727	2.2008	1.0911	1.0855	2.9671
N2	1.2727		1.3892	2.0805	2.0084	1.8586
O3	2.2008	1.3892		2.4074	3.2034	0.9684
H4	1.0911	2.0805	2.4074		1.8879	3.3421
H5	1.0855	2.0084	3.2034	1.8879		3.8550
H6	2.9671	1.8586	0.9684	3.3421	3.8550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.458	N2	C1	H4	123.133
N2	C1	H5	116.562	N2	O3	H6	102.594
H4	C1	H5	120.305

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3PW91/6-31G*

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	-0.178
2	N	-0.110
3	O	-0.510
4	H	0.178
5	H	0.188
6	H	0.432

	x	y	z	Total
	0.072	-0.032	0.000	0.079
CHELPG
AIM
ESP

	x	y	z
x	5.166	-0.169	0.000
y	-0.169	2.847	0.000
z	0.000	0.000	1.452

<r²>	40.340
(<r²>)^1/2	6.351

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)