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	hartrees
Energy at 0K	-34.069401
Energy at 298.15K
HF Energy	-33.511617
Nuclear repulsion energy	63.184605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3715	3539	34.02
2	A	3571	3402	61.16
3	A	3216	3064	3.60
4	A	3153	3004	15.19
5	A	3066	2921	17.98
6	A	1680	1601	151.50
7	A	1523	1451	10.03
8	A	1517	1445	12.28
9	A	1438	1370	21.64
10	A	1405	1338	306.71
11	A	1347	1283	21.26
12	A	1056	1006	6.14
13	A	1030	981	29.59
14	A	1016	968	1.67
15	A	749	714	1.92
16	A	606	577	23.47
17	A	486	463	19.16
18	A	427	407	1.82
19	A	376	359	4.87
20	A	326	310	270.74
21	A	74	71	2.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.056	-0.009
S2	-1.374	-0.116	0.003
C3	1.247	-1.114	0.000
N4	0.887	1.280	-0.042
H5	0.746	-2.013	-0.358
H6	2.121	-0.905	-0.627
H7	1.587	-1.291	1.027
H8	1.880	1.360	0.148
H9	0.311	2.101	0.104

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6561	1.5221	1.3694	2.1511	2.1723	2.1485	2.0753	2.0487
S2	1.6561		2.8039	2.6577	2.8677	3.6376	3.3462	3.5761	2.7864
C3	1.5221	2.8039		2.4210	1.0894	1.0959	1.0968	2.5582	3.3505
N4	1.3694	2.6577	2.4210		3.3112	2.5765	2.8707	1.0140	1.0144
H5	2.1511	2.8677	1.0894	3.3112		1.7860	1.7742	3.5945	4.1633
H6	2.1723	3.6376	1.0959	2.5765	1.7860		1.7804	2.4061	3.5849
H7	2.1485	3.3462	1.0968	2.8707	1.7742	1.7804		2.8082	3.7403
H8	2.0753	3.5761	2.5582	1.0140	3.5945	2.4061	2.8082		1.7365
H9	2.0487	2.7864	3.3505	1.0144	4.1633	3.5849	3.7403	1.7365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.809	C1	C3	H6	111.105
C1	C3	H7	109.172	C1	N4	H8	120.355
C1	N4	H9	117.732	S2	C1	C3	123.771
S2	C1	N4	122.623	C3	C1	N4	113.604
H5	C3	H6	109.631	H5	C3	H7	108.494
H6	C3	H7	108.578	H8	N4	H9	117.767

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)