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	hartrees
Energy at 0K	-208.551842
Energy at 298.15K
HF Energy	-207.878451
Nuclear repulsion energy	119.029604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3736	3626
2	A'	3194	3101
3	A'	3174	3081
4	A'	3061	2971
5	A'	1737	1686
6	A'	1525	1481
7	A'	1449	1407
8	A'	1408	1367
9	A'	1361	1321
10	A'	1170	1135
11	A'	945	918
12	A'	910	884
13	A'	671	651
14	A'	319	310
15	A"	3120	3029
16	A"	1533	1488
17	A"	1089	1057
18	A"	861	836
19	A"	484	470
20	A"	378	367
21	A"	82i	80i

Atom	x (Å)	y (Å)	z (Å)
C1	-1.450	0.484	0.000
C2	0.000	0.869	0.000
N3	1.031	0.095	0.000
O4	0.647	-1.275	0.000
H5	1.515	-1.716	0.000
H6	-1.570	-0.601	0.000
H7	-1.948	0.902	0.885
H8	-1.948	0.902	-0.885
H9	0.262	1.929	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5006	2.5118	2.7373	3.6927	1.0921	1.0985	1.0985	2.2404
C2	1.5006		1.2892	2.2396	2.9963	2.1513	2.1403	2.1403	1.0919
N3	2.5118	1.2892		1.4234	1.8748	2.6933	3.2113	3.2113	1.9887
O4	2.7373	2.2396	1.4234		0.9741	2.3173	3.5012	3.5012	3.2273
H5	3.6927	2.9963	1.8748	0.9741		3.2810	4.4312	4.4312	3.8545
H6	1.0921	2.1513	2.6933	2.3173	3.2810		1.7852	1.7852	3.1241
H7	1.0985	2.1403	3.2113	3.5012	4.4312	1.7852		1.7708	2.5929
H8	1.0985	2.1403	3.2113	3.5012	4.4312	1.7852	1.7708		2.5929
H9	2.2404	1.0919	1.9887	3.2273	3.8545	3.1241	2.5929	2.5929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	128.257	C1	C2	H9	118.732
C2	C1	H6	111.175	C2	C1	H7	109.913
C2	C1	H8	109.913	C2	N3	O4	111.211
N3	C2	H9	113.012	N3	O4	H5	101.224
H6	C1	H7	109.168	H6	C1	H8	109.168
H7	C1	H8	107.421

All results from a given calculation for CH₃CHNOH (Acetaldoxime)

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

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

All results from a given calculation for CH₃CHNOH (Acetaldoxime)