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	hartrees
Energy at 0K	-208.536939
Energy at 298.15K
HF Energy	-207.878188
Nuclear repulsion energy	118.932807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3735	3593
2	A'	3193	3072
3	A'	3173	3053
4	A'	3060	2944
5	A'	1733	1668
6	A'	1525	1467
7	A'	1448	1393
8	A'	1407	1354
9	A'	1359	1308
10	A'	1168	1124
11	A'	944	908
12	A'	909	874
13	A'	670	644
14	A'	319	307
15	A"	3119	3001
16	A"	1532	1474
17	A"	1087	1046
18	A"	859	826
19	A"	482	464
20	A"	376	362
21	A"	83i	80i

Atom	x (Å)	y (Å)	z (Å)
C1	-1.452	0.484	0.000
C2	0.000	0.870	0.000
N3	1.032	0.096	0.000
O4	0.647	-1.276	0.000
H5	1.516	-1.716	0.000
H6	-1.571	-0.602	0.000
H7	-1.950	0.902	0.886
H8	-1.950	0.902	-0.886
H9	0.262	1.930	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5022	2.5146	2.7394	3.6948	1.0924	1.0988	1.0988	2.2421
C2	1.5022		1.2905	2.2414	2.9978	2.1527	2.1418	2.1418	1.0922
N3	2.5146	1.2905		1.4249	1.8754	2.6955	3.2138	3.2138	1.9899
O4	2.7394	2.2414	1.4249		0.9742	2.3186	3.5033	3.5033	3.2294
H5	3.6948	2.9978	1.8754	0.9742		3.2825	4.4333	4.4333	3.8563
H6	1.0924	2.1527	2.6955	2.3186	3.2825		1.7860	1.7860	3.1257
H7	1.0988	2.1418	3.2138	3.5033	4.4333	1.7860		1.7717	2.5945
H8	1.0988	2.1418	3.2138	3.5033	4.4333	1.7860	1.7717		2.5945
H9	2.2421	1.0922	1.9899	3.2294	3.8563	3.1257	2.5945	2.5945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	128.261	C1	C2	H9	118.737
C2	C1	H6	111.147	C2	C1	H7	109.891
C2	C1	H8	109.891	C2	N3	O4	111.172
N3	C2	H9	113.002	N3	O4	H5	101.169
H6	C1	H7	109.189	H6	C1	H8	109.189
H7	C1	H8	107.453

All results from a given calculation for CH₃CHNOH (Acetaldoxime)

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

All results from a given calculation for CH₃CHNOH (Acetaldoxime)