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	hartrees
Energy at 0K	-531.292219
Energy at 298.15K
HF Energy	-530.639853
Nuclear repulsion energy	153.756648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3733	3580
2	A	3585	3438
3	A	3199	3068
4	A	3121	2993
5	A	3046	2921
6	A	1631	1564
7	A	1478	1418
8	A	1476	1415
9	A	1413	1355
10	A	1389	1332
11	A	1329	1274
12	A	1025	983
13	A	1019	977
14	A	995	954
15	A	733	703
16	A	609	584
17	A	499	479
18	A	421	404
19	A	373	357
20	A	28	27
21	A	96i	92i

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.058	-0.001
S2	-1.380	-0.117	0.000
C3	1.249	-1.111	0.000
N4	0.887	1.272	-0.004
H5	0.700	-2.062	-0.024
H6	1.917	-1.051	-0.881
H7	1.880	-1.077	0.909
H8	1.897	1.361	0.016
H9	0.315	2.110	0.010

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6655	1.5210	1.3579	2.1623	2.1670	2.1652	2.0788	2.0514
S2	1.6655		2.8106	2.6577	2.8475	3.5379	3.5173	3.5941	2.7976
C3	1.5210	2.8106		2.4099	1.0986	1.1069	1.1070	2.5556	3.3533
N4	1.3579	2.6577	2.4099		3.3388	2.6880	2.7088	1.0139	1.0147
H5	2.1623	2.8475	1.0986	3.3388		1.7991	1.7981	3.6266	4.1893
H6	2.1670	3.5379	1.1069	2.6880	1.7991		1.7907	2.5738	3.6539
H7	2.1652	3.5173	1.1070	2.7088	1.7981	1.7907		2.5973	3.6625
H8	2.0788	3.5941	2.5556	1.0139	3.6266	2.5738	2.5973		1.7499
H9	2.0514	2.7976	3.3533	1.0147	4.1893	3.6539	3.6625	1.7499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.225	C1	C3	H6	110.103
C1	C3	H7	109.961	C1	N4	H8	121.765
C1	N4	H9	118.977	S2	C1	C3	123.713
S2	C1	N4	122.735	C3	C1	N4	113.552
H5	C3	H6	109.315	H5	C3	H7	109.221
H6	C3	H7	107.974	H8	N4	H9	119.217

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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: QCISD(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)