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	hartrees
Energy at 0K	-531.965990
Energy at 298.15K
HF Energy	-531.723498
Nuclear repulsion energy	154.805209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3738	30.88
2	A	3606	3606	52.58
3	A	3197	3197	3.37
4	A	3119	3119	16.90
5	A	3059	3059	20.48
6	A	1696	1696	155.46
7	A	1523	1523	12.57
8	A	1514	1514	12.98
9	A	1433	1433	40.35
10	A	1411	1411	250.14
11	A	1349	1349	44.94
12	A	1056	1056	1.90
13	A	1036	1036	18.43
14	A	1009	1009	20.19
15	A	740	740	7.46
16	A	624	624	13.16
17	A	503	503	14.46
18	A	435	435	0.77
19	A	382	382	1.09
20	A	267	267	217.21
21	A	52	52	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.061	-0.013
S2	-1.369	-0.115	0.001
C3	1.237	-1.107	0.000
N4	0.881	1.266	-0.003
H5	0.732	-2.013	-0.320
H6	2.098	-0.927	-0.650
H7	1.608	-1.261	1.017
H8	1.882	1.363	0.006
H9	0.316	2.098	0.032

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6578	1.5103	1.3470	2.1445	2.1651	2.1388	2.0653	2.0378
S2	1.6578		2.7885	2.6402	2.8494	3.6195	3.3480	3.5716	2.7819
C3	1.5103	2.7885		2.3993	1.0853	1.0933	1.0934	2.5527	3.3345
N4	1.3470	2.6402	2.3993		3.2972	2.5895	2.8207	1.0059	1.0062
H5	2.1445	2.8494	1.0853	3.2972		1.7756	1.7659	3.5810	4.1465
H6	2.1651	3.6195	1.0933	2.5895	1.7756		1.7690	2.3913	3.5758
H7	2.1388	3.3480	1.0934	2.8207	1.7659	1.7690		2.8258	3.7312
H8	2.0653	3.5716	2.5527	1.0059	3.5810	2.3913	2.8258		1.7300
H9	2.0378	2.7819	3.3345	1.0062	4.1465	3.5758	3.7312	1.7300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.349	C1	C3	H6	111.514
C1	C3	H7	109.416	C1	N4	H8	122.081
C1	N4	H9	119.284	S2	C1	C3	123.260
S2	C1	N4	122.629	C3	C1	N4	114.092
H5	C3	H6	109.181	H5	C3	H7	108.299
H6	C3	H7	107.997	H8	N4	H9	118.591

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)