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	hartrees
Energy at 0K	-208.594277
Energy at 298.15K	-208.600150
HF Energy	-207.900759
Nuclear repulsion energy	118.806576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3831	3652
2	A'	3194	3044
3	A'	3172	3023
4	A'	3053	2910
5	A'	1714	1634
6	A'	1471	1402
7	A'	1401	1335
8	A'	1379	1314
9	A'	1327	1265
10	A'	1143	1090
11	A'	928	884
12	A'	906	863
13	A'	662	631
14	A'	316	302
15	A"	3121	2975
16	A"	1482	1413
17	A"	1052	1003
18	A"	850	810
19	A"	484	461
20	A"	374	356
21	A"	18	17

Atom	x (Å)	y (Å)	z (Å)
C1	-1.458	0.482	0.000
C2	0.000	0.870	0.000
N3	1.035	0.091	0.000
O4	0.652	-1.272	0.000
H5	1.519	-1.701	0.000
H6	-1.576	-0.613	0.000
H7	-1.960	0.903	0.892
H8	-1.960	0.903	-0.892
H9	0.267	1.938	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5092	2.5232	2.7438	3.6918	1.1003	1.1069	1.1069	2.2576
C2	1.5092		1.2954	2.2393	2.9867	2.1638	2.1536	2.1536	1.1005
N3	2.5232	1.2954		1.4152	1.8562	2.7035	3.2283	3.2283	2.0005
O4	2.7438	2.2393	1.4152		0.9675	2.3236	3.5140	3.5140	3.2330
H5	3.6918	2.9867	1.8562	0.9675		3.2810	4.4363	4.4363	3.8486
H6	1.1003	2.1638	2.7035	2.3236	3.2810		1.8000	1.8000	3.1465
H7	1.1069	2.1536	3.2283	3.5140	4.4363	1.8000		1.7843	2.6124
H8	1.1069	2.1536	3.2283	3.5140	4.4363	1.8000	1.7843		2.6124
H9	2.2576	1.1005	2.0005	3.2330	3.8486	3.1465	2.6124	2.6124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	128.072	C1	C2	H9	118.954
C2	C1	H6	111.066	C2	C1	H7	109.862
C2	C1	H8	109.862	C2	N3	O4	111.326
N3	C2	H9	112.974	N3	O4	H5	100.662
H6	C1	H7	109.276	H6	C1	H8	109.276
H7	C1	H8	107.421

All results from a given calculation for CH₃CHNOH (Acetaldoxime)

using model chemistry: QCISD(T)/cc-pVDZ

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: QCISD(T)/cc-pVDZ

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

All results from a given calculation for CH₃CHNOH (Acetaldoxime)