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	hartrees
Energy at 0K	-169.829464
Energy at 298.15K	-169.833367
HF Energy	-169.829464
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3783	3641	83.86
2	A'	3257	3135	4.77
3	A'	3124	3007	6.70
4	A'	1704	1640	6.59
5	A'	1456	1401	8.33
6	A'	1343	1293	91.76
7	A'	1177	1133	9.67
8	A'	915	881	131.81
9	A'	520	500	6.06
10	A"	969	933	44.42
11	A"	796	766	8.98
12	A"	430	414	146.10

Atom	x (Å)	y (Å)
C1	1.143	-0.029
N2	0.000	0.541
O3	-1.037	-0.409
H4	1.267	-1.112
H5	2.006	0.628
H6	-1.834	0.144

	C1	N2	O3	H4	H5	H6
C1		1.2776	2.2132	1.0900	1.0844	2.9823
N2	1.2776		1.4063	2.0831	2.0075	1.8765
O3	2.2132	1.4063		2.4097	3.2146	0.9697
H4	1.0900	2.0831	2.4097		1.8903	3.3462
H5	1.0844	2.0075	3.2146	1.8903		3.8700
H6	2.9823	1.8765	0.9697	3.3462	3.8700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.016	N2	C1	H4	123.055
N2	C1	H5	116.169	N2	O3	H6	102.786
H4	C1	H5	120.776

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: TPSSh/6-31+G**

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	-0.254
2	N	-0.122
3	O	-0.320
4	H	0.162
5	H	0.170
6	H	0.365

	x	y	z	Total
	0.279	-0.086	0.000	0.292
CHELPG
AIM
ESP

	x	y	z
x	5.761	-0.105	0.000
y	-0.105	3.530	0.000
z	0.000	0.000	2.500

<r²>	41.049
(<r²>)^1/2	6.407

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)