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	hartrees
Energy at 0K	-531.262022
Energy at 298.15K
HF Energy	-530.640741
Nuclear repulsion energy	154.539815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3794	3568	48.19
2	A	3653	3435	81.69
3	A	3241	3047	1.92
4	A	3162	2974	11.78
5	A	3088	2904	17.70
6	A	1660	1561	216.17
7	A	1494	1404	44.16
8	A	1492	1402	8.81
9	A	1438	1352	190.14
10	A	1414	1329	104.88
11	A	1355	1274	14.98
12	A	1040	978	0.01
13	A	1036	974	36.52
14	A	1016	955	1.85
15	A	759	714	7.05
16	A	622	585	6.70
17	A	516	485	6.33
18	A	432	406	0.89
19	A	382	359	2.72
20	A	159	149	175.09
21	A	47	44	1.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.060	0.000
S2	-1.371	-0.117	0.000
C3	1.242	-1.107	-0.000
N4	0.881	1.267	-0.000
H5	0.694	-2.056	0.000
H6	1.890	-1.060	-0.892
H7	1.890	-1.060	0.892
H8	1.887	1.355	0.000
H9	0.313	2.103	0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6537	1.5168	1.3507	2.1576	2.1599	2.1599	2.0682	2.0427
S2	1.6537		2.7939	2.6425	2.8326	3.5097	3.5097	3.5743	2.7856
C3	1.5168	2.7939		2.4013	1.0955	1.1038	1.1038	2.5449	3.3416
N4	1.3507	2.6425	2.4013		3.3280	2.6891	2.6891	1.0098	1.0105
H5	2.1576	2.8326	1.0955	3.3280		1.7936	1.7935	3.6130	4.1760
H6	2.1599	3.5097	1.1038	2.6891	1.7936		1.7847	2.5749	3.6455
H7	2.1599	3.5097	1.1038	2.6891	1.7935	1.7847		2.5746	3.6454
H8	2.0682	3.5743	2.5449	1.0098	3.6130	2.5749	2.5746		1.7427
H9	2.0427	2.7856	3.3416	1.0105	4.1760	3.6455	3.6454	1.7427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.328	C1	C3	H6	110.015
C1	C3	H7	110.013	C1	N4	H8	121.702
C1	N4	H9	119.089	S2	C1	C3	123.525
S2	C1	N4	122.862	C3	C1	N4	113.613
H5	C3	H6	109.280	H5	C3	H7	109.274
H6	C3	H7	107.887	H8	N4	H9	119.209

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

	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 CH3CSNH2 (Ethanethioamide)

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)