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	hartrees
Energy at 0K	-531.526417
Energy at 298.15K
HF Energy	-530.697170
Nuclear repulsion energy	156.109528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3803	3546	49.31
2	A	3677	3429	82.63
3	A	3227	3009	1.19
4	A	3146	2934	8.06
5	A	3096	2887	15.25
6	A	1690	1576	195.00
7	A	1522	1420	8.70
8	A	1519	1417	25.96
9	A	1447	1349	145.52
10	A	1422	1326	213.19
11	A	1369	1276	20.51
12	A	1059	988	0.08
13	A	1040	970	39.21
14	A	1023	954	6.83
15	A	762	711	9.15
16	A	634	591	7.43
17	A	538	501	3.24
18	A	433	404	0.92
19	A	384	358	2.75
20	A	329	307	168.81
21	A	68	64	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.060	0.000
S2	-1.357	-0.111	0.000
C3	1.221	-1.103	0.000
N4	0.880	1.253	-0.001
H5	0.670	-2.030	0.003
H6	1.856	-1.065	-0.881
H7	1.861	-1.062	0.877
H8	1.875	1.335	0.002
H9	0.322	2.081	0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6415	1.4994	1.3371	2.1275	2.1311	2.1314	2.0455	2.0215
S2	1.6415		2.7626	2.6202	2.7918	3.4660	3.4687	3.5411	2.7612
C3	1.4994	2.7626		2.3806	1.0783	1.0866	1.0867	2.5243	3.3091
N4	1.3371	2.6202	2.3806		3.2897	2.6645	2.6626	0.9985	0.9991
H5	2.1275	2.7918	1.0783	3.2897		1.7664	1.7664	3.5743	4.1263
H6	2.1311	3.4660	1.0866	2.6645	1.7664		1.7577	2.5572	3.6099
H7	2.1314	3.4687	1.0867	2.6626	1.7664	1.7577		2.5511	3.6077
H8	2.0455	3.5411	2.5243	0.9985	3.5743	2.5572	2.5511		1.7236
H9	2.0215	2.7612	3.3091	0.9991	4.1263	3.6099	3.6077	1.7236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.177	C1	C3	H6	109.968
C1	C3	H7	109.989	C1	N4	H8	121.607
C1	N4	H9	119.122	S2	C1	C3	123.117
S2	C1	N4	122.881	C3	C1	N4	114.002
H5	C3	H6	109.356	H5	C3	H7	109.358
H6	C3	H7	107.955	H8	N4	H9	119.270

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)