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	hartrees
Energy at 0K	-208.624580
Energy at 298.15K
HF Energy	-207.926880
Nuclear repulsion energy	119.335057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3830	3687
2	A'	3169	3051
3	A'	3152	3034
4	A'	3033	2919
5	A'	1723	1658
6	A'	1507	1451
7	A'	1435	1381
8	A'	1415	1363
9	A'	1351	1301
10	A'	1159	1116
11	A'	943	908
12	A'	917	883
13	A'	674	649
14	A'	318	307
15	A"	3090	2975
16	A"	1511	1455
17	A"	1072	1032
18	A"	850	818
19	A"	487	468
20	A"	386	372
21	A"	82i	79i

Atom	x (Å)	y (Å)	z (Å)
C1	-1.454	0.480	0.000
C2	0.000	0.867	0.000
N3	1.028	0.092	0.000
O4	0.655	-1.267	0.000
H5	1.507	-1.711	0.000
H6	-1.574	-0.604	0.000
H7	-1.953	0.898	0.885
H8	-1.953	0.898	-0.885
H9	0.269	1.925	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5048	2.5121	2.7385	3.6837	1.0912	1.0982	1.0982	2.2490
C2	1.5048		1.2875	2.2322	2.9864	2.1545	2.1442	2.1442	1.0918
N3	2.5121	1.2875		1.4086	1.8654	2.6928	3.2120	3.2120	1.9844
O4	2.7385	2.2322	1.4086		0.9609	2.3247	3.5027	3.5027	3.2153
H5	3.6837	2.9864	1.8654	0.9609		3.2731	4.4227	4.4227	3.8414
H6	1.0912	2.1545	2.6928	2.3247	3.2731		1.7844	1.7844	3.1297
H7	1.0982	2.1442	3.2120	3.5027	4.4227	1.7844		1.7694	2.6029
H8	1.0982	2.1442	3.2120	3.5027	4.4227	1.7844	1.7694		2.6029
H9	2.2490	1.0918	1.9844	3.2153	3.8414	3.1297	2.6029	2.6029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	128.052	C1	C2	H9	119.168
C2	C1	H6	111.186	C2	C1	H7	109.938
C2	C1	H8	109.938	C2	N3	O4	111.693
N3	C2	H9	112.779	N3	O4	H5	102.197
H6	C1	H7	109.178	H6	C1	H8	109.178
H7	C1	H8	107.336

All results from a given calculation for CH₃CHNOH (Acetaldoxime)

using model chemistry: CCSD(T)/6-311G*

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)/6-311G*

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

All results from a given calculation for CH₃CHNOH (Acetaldoxime)