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	hartrees
Energy at 0K	-169.881210
Energy at 298.15K	-169.885135
HF Energy	-169.881210
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3782	3645	76.58
2	A'	3227	3110	4.87
3	A'	3098	2986	6.52
4	A'	1700	1638	5.27
5	A'	1458	1405	10.12
6	A'	1347	1298	88.82
7	A'	1179	1137	8.43
8	A'	899	867	130.13
9	A'	520	501	5.69
10	A"	976	941	39.84
11	A"	800	771	7.91
12	A"	445	429	140.79

Atom	x (Å)	y (Å)
C1	1.141	-0.021
N2	0.000	0.538
O3	-1.036	-0.415
H4	1.276	-1.102
H5	1.997	0.641
H6	-1.828	0.141

	C1	N2	O3	H4	H5	H6
C1		1.2704	2.2121	1.0890	1.0833	2.9728
N2	1.2704		1.4074	2.0779	2.0001	1.8703
O3	2.2121	1.4074		2.4124	3.2122	0.9669
H4	1.0890	2.0779	2.4124		1.8867	3.3433
H5	1.0833	2.0001	3.2122	1.8867		3.8577
H6	2.9728	1.8703	0.9669	3.3433	3.8577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.293	N2	C1	H4	123.266
N2	C1	H5	116.147	N2	O3	H6	102.353
H4	C1	H5	120.587

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: TPSSh/TZVP

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	-0.166
2	N	-0.062
3	O	-0.300
4	H	0.107
5	H	0.132
6	H	0.289

	x	y	z	Total
	0.252	-0.068	0.000	0.261
CHELPG
AIM
ESP

	x	y	z
x	5.653	-0.135	0.000
y	-0.135	3.299	0.000
z	0.000	0.000	2.214

<r²>	40.878
(<r²>)^1/2	6.394

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)