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	hartrees
Energy at 0K	-531.435664
Energy at 298.15K
HF Energy	-530.691766
Nuclear repulsion energy	155.655614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3797	50.07
2	A	3663	3663	81.24
3	A	3219	3219	1.43
4	A	3140	3140	6.87
5	A	3075	3075	14.98
6	A	1681	1681	187.38
7	A	1514	1514	8.21
8	A	1511	1511	20.75
9	A	1435	1435	77.22
10	A	1414	1414	326.51
11	A	1362	1362	16.54
12	A	1053	1053	0.58
13	A	1038	1038	44.11
14	A	1021	1021	8.64
15	A	759	759	8.47
16	A	620	620	4.38
17	A	526	526	4.61
18	A	434	434	0.82
19	A	384	384	2.15
20	A	335	335	169.33
21	A	35	35	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.060	0.000
S2	-1.359	-0.118	0.000
C3	1.234	-1.101	-0.000
N4	0.871	1.263	-0.000
H5	0.692	-2.039	-0.000
H6	1.874	-1.055	-0.883
H7	1.874	-1.055	0.883
H8	1.869	1.350	0.000
H9	0.308	2.092	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6409	1.5080	1.3433	2.1402	2.1421	2.1421	2.0529	2.0325
S2	1.6409		2.7736	2.6225	2.8105	3.4801	3.4801	3.5461	2.7681
C3	1.5080	2.7736		2.3915	1.0827	1.0910	1.0911	2.5323	3.3250
N4	1.3433	2.6225	2.3915		3.3059	2.6751	2.6752	1.0019	1.0025
H5	2.1402	2.8105	1.0827	3.3059		1.7727	1.7727	3.5872	4.1485
H6	2.1421	3.4801	1.0910	2.6751	1.7727		1.7651	2.5621	3.6243
H7	2.1421	3.4801	1.0911	2.6752	1.7727	1.7651		2.5621	3.6244
H8	2.0529	3.5461	2.5323	1.0019	3.5872	2.5621	2.5621		1.7281
H9	2.0325	2.7681	3.3250	1.0025	4.1485	3.6243	3.6244	1.7281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.326	C1	C3	H6	109.971
C1	C3	H7	109.971	C1	N4	H8	121.490
C1	N4	H9	119.386	S2	C1	C3	123.430
S2	C1	N4	122.681	C3	C1	N4	113.890
H5	C3	H6	109.279	H5	C3	H7	109.275
H6	C3	H7	107.977	H8	N4	H9	119.125

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)