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	hartrees
Energy at 0K	-208.699854
Energy at 298.15K
HF Energy	-207.958695
Nuclear repulsion energy	119.826758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3863	3680	92.72
2	A'	3232	3079	6.25
3	A'	3217	3064	3.83
4	A'	3093	2947	11.59
5	A'	1709	1628	3.75
6	A'	1508	1437	13.29
7	A'	1429	1362	12.90
8	A'	1388	1323	11.59
9	A'	1351	1287	64.63
10	A'	1165	1110	7.80
11	A'	942	898	81.78
12	A'	919	875	35.92
13	A'	679	647	12.31
14	A'	322	307	1.68
15	A"	3166	3016	9.92
16	A"	1501	1430	10.93
17	A"	1072	1022	1.80
18	A"	863	822	14.43
19	A"	478	455	36.61
20	A"	383	364	100.80
21	A"	79i	75i	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.443	0.486	0.000
C2	0.000	0.864	0.000
N3	1.020	0.090	0.000
O4	0.646	-1.270	0.000
H5	1.508	-1.700	0.000
H6	-1.571	-0.591	0.000
H7	-1.933	0.905	0.879
H8	-1.933	0.905	-0.879
H9	0.274	1.912	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4914	2.4946	2.7289	3.6725	1.0845	1.0902	1.0902	2.2319
C2	1.4914		1.2808	2.2298	2.9748	2.1415	2.1238	2.1238	1.0835
N3	2.4946	1.2808		1.4105	1.8551	2.6796	3.1874	3.1874	1.9694
O4	2.7289	2.2298	1.4105		0.9636	2.3192	3.4865	3.4865	3.2041
H5	3.6725	2.9748	1.8551	0.9636		3.2734	4.4048	4.4048	3.8174
H6	1.0845	2.1415	2.6796	2.3192	3.2734		1.7724	1.7724	3.1099
H7	1.0902	2.1238	3.1874	3.4865	4.4048	1.7724		1.7578	2.5802
H8	1.0902	2.1238	3.1874	3.4865	4.4048	1.7724	1.7578		2.5802
H9	2.2319	1.0835	1.9694	3.2041	3.8174	3.1099	2.5802	2.5802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	128.125	C1	C2	H9	119.331
C2	C1	H6	111.502	C2	C1	H7	109.732
C2	C1	H8	109.732	C2	N3	O4	111.804
N3	C2	H9	112.544	N3	O4	H5	101.105
H6	C1	H7	109.168	H6	C1	H8	109.168
H7	C1	H8	107.447

All results from a given calculation for CH₃CHNOH (Acetaldoxime)

using model chemistry: MP2=FULL/TZVP

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CHNOH (Acetaldoxime)

using model chemistry: MP2=FULL/TZVP

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

All results from a given calculation for CH₃CHNOH (Acetaldoxime)