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	hartrees
Energy at 0K	-531.260092
Energy at 298.15K
HF Energy	-530.659038
Nuclear repulsion energy	155.046074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3772	3603	33.52
2	A	3643	3480	77.52
3	A	3193	3049	2.42
4	A	3115	2975	12.94
5	A	3048	2911	17.23
6	A	1721	1644	183.36
7	A	1519	1451	30.19
8	A	1516	1448	12.97
9	A	1446	1381	82.23
10	A	1426	1362	355.13
11	A	1374	1312	21.38
12	A	1053	1006	1.65
13	A	1045	998	44.41
14	A	1034	987	10.57
15	A	758	724	10.14
16	A	607	580	9.60
17	A	511	488	16.39
18	A	441	421	0.51
19	A	390	372	1.09
20	A	87	83	197.38
21	A	11i	10i	42.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	0.060	-0.001
S2	-1.366	-0.116	0.001
C3	1.239	-1.104	0.000
N4	0.878	1.263	-0.012
H5	0.698	-2.048	-0.043
H6	1.914	-1.037	-0.862
H7	1.849	-1.084	0.912
H8	1.878	1.353	0.044
H9	0.320	2.098	0.027

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6464	1.5143	1.3478	2.1516	2.1552	2.1528	2.0632	2.0385
S2	1.6464		2.7858	2.6349	2.8272	3.5144	3.4789	3.5619	2.7835
C3	1.5143	2.7858		2.3945	1.0888	1.0971	1.0974	2.5391	3.3315
N4	1.3478	2.6349	2.3945		3.3163	2.6619	2.7027	1.0053	1.0053
H5	2.1516	2.8272	1.0888	3.3163		1.7810	1.7793	3.6009	4.1639
H6	2.1552	3.5144	1.0971	2.6619	1.7810		1.7758	2.5563	3.6278
H7	2.1528	3.4789	1.0974	2.7027	1.7793	1.7758		2.5867	3.6394
H8	2.0632	3.5619	2.5391	1.0053	3.6009	2.5563	2.5867		1.7275
H9	2.0385	2.7835	3.3315	1.0053	4.1639	3.6278	3.6394	1.7275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.427	C1	C3	H6	110.224
C1	C3	H7	110.010	C1	N4	H8	121.841
C1	N4	H9	119.352	S2	C1	C3	123.574
S2	C1	N4	122.976	C3	C1	N4	113.449
H5	C3	H6	109.131	H5	C3	H7	108.955
H6	C3	H7	108.044	H8	N4	H9	118.453

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCD/6-311G*

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: CCD/6-311G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)