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	hartrees
Energy at 0K	-531.173946
Energy at 298.15K
HF Energy	-530.607917
Nuclear repulsion energy	155.132769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3743	3526	50.95
2	A	3606	3397	91.10
3	A	3252	3064	1.11
4	A	3179	2995	8.92
5	A	3102	2923	12.25
6	A	1684	1586	190.44
7	A	1548	1458	13.34
8	A	1547	1458	11.08
9	A	1461	1376	95.78
10	A	1448	1365	220.72
11	A	1371	1291	23.62
12	A	1071	1009	0.02
13	A	1058	997	26.52
14	A	1026	967	2.39
15	A	763	719	4.25
16	A	620	584	11.78
17	A	519	489	9.82
18	A	438	413	0.72
19	A	392	369	1.62
20	A	227	214	232.67
21	A	37	34	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	0.056	-0.000
S2	-1.365	-0.113	-0.000
C3	1.232	-1.106	0.000
N4	0.883	1.261	0.001
H5	0.683	-2.045	-0.002
H6	1.875	-1.067	-0.885
H7	1.873	-1.068	0.887
H8	1.890	1.352	-0.002
H9	0.321	2.102	-0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6444	1.5081	1.3509	2.1411	2.1492	2.1490	2.0733	2.0464
S2	1.6444		2.7801	2.6339	2.8150	3.4917	3.4903	3.5687	2.7831
C3	1.5081	2.7801		2.3925	1.0876	1.0952	1.0951	2.5445	3.3351
N4	1.3509	2.6339	2.3925		3.3117	2.6811	2.6818	1.0110	1.0118
H5	2.1411	2.8150	1.0876	3.3117		1.7776	1.7776	3.6049	4.1627
H6	2.1492	3.4917	1.0952	2.6811	1.7776		1.7724	2.5749	3.6389
H7	2.1490	3.4903	1.0951	2.6818	1.7776	1.7724		2.5788	3.6402
H8	2.0733	3.5687	2.5445	1.0110	3.6049	2.5749	2.5788		1.7391
H9	2.0464	2.7831	3.3351	1.0118	4.1627	3.6389	3.6402	1.7391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.092	C1	C3	H6	110.287
C1	C3	H7	110.274	C1	N4	H8	122.098
C1	N4	H9	119.324	S2	C1	C3	123.676
S2	C1	N4	122.826	C3	C1	N4	113.498
H5	C3	H6	109.054	H5	C3	H7	109.055
H6	C3	H7	108.035	H8	N4	H9	118.577

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=FULL/6-31G*

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: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)