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	hartrees
Energy at 0K	-532.030990
Energy at 298.15K
HF Energy	-531.760990
Nuclear repulsion energy	155.299759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3717	42.12
2	A	3585	3585	52.54
3	A	3187	3187	1.36
4	A	3103	3103	7.66
5	A	3050	3050	17.38
6	A	1647	1647	154.26
7	A	1504	1504	8.14
8	A	1496	1496	10.26
9	A	1416	1416	40.19
10	A	1389	1389	249.20
11	A	1333	1333	34.90
12	A	1047	1047	0.53
13	A	1029	1029	25.69
14	A	998	998	12.29
15	A	737	737	6.39
16	A	615	615	5.14
17	A	519	519	4.15
18	A	426	426	0.97
19	A	379	379	1.93
20	A	328	328	159.50
21	A	31	31	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.058	-0.003
S2	-1.364	-0.116	0.000
C3	1.235	-1.103	-0.000
N4	0.875	1.264	0.000
H5	0.692	-2.035	-0.088
H6	1.942	-1.019	-0.826
H7	1.805	-1.111	0.930
H8	1.874	1.359	-0.005
H9	0.306	2.092	0.008

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6521	1.5037	1.3451	2.1349	2.1450	2.1368	2.0588	2.0341
S2	1.6521		2.7794	2.6298	2.8133	3.5249	3.4488	3.5584	2.7684
C3	1.5037	2.7794		2.3941	1.0820	1.0906	1.0907	2.5442	3.3271
N4	1.3451	2.6298	2.3941		3.3051	2.6517	2.7149	1.0040	1.0045
H5	2.1349	2.8133	1.0820	3.3051		1.7722	1.7683	3.5954	4.1459
H6	2.1450	3.5249	1.0906	2.6517	1.7722		1.7632	2.5168	3.6121
H7	2.1368	3.4488	1.0907	2.7149	1.7683	1.7632		2.6425	3.6546
H8	2.0588	3.5584	2.5442	1.0040	3.5954	2.5168	2.6425		1.7308
H9	2.0341	2.7684	3.3271	1.0045	4.1459	3.6121	3.6546	1.7308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.247	C1	C3	H6	110.537
C1	C3	H7	109.875	C1	N4	H8	121.749
C1	N4	H9	119.224	S2	C1	C3	123.400
S2	C1	N4	122.343	C3	C1	N4	114.255
H5	C3	H6	109.310	H5	C3	H7	108.953
H6	C3	H7	107.868	H8	N4	H9	119.026

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULL/daug-cc-pVTZ

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: B2PLYP=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)