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	hartrees
Energy at 0K	-531.269590
Energy at 298.15K
HF Energy	-530.640421
Nuclear repulsion energy	154.201544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3761	3761	44.99
2	A	3617	3617	76.15
3	A	3217	3217	2.20
4	A	3139	3139	12.91
5	A	3066	3066	18.81
6	A	1649	1649	193.01
7	A	1489	1489	9.55
8	A	1488	1488	27.58
9	A	1430	1430	157.48
10	A	1406	1406	116.38
11	A	1347	1347	18.99
12	A	1037	1037	0.21
13	A	1030	1030	32.93
14	A	1010	1010	2.30
15	A	747	747	6.83
16	A	617	617	6.68
17	A	511	511	5.63
18	A	428	428	0.85
19	A	379	379	2.59
20	A	118	118	171.62
21	A	41	41	5.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.060	-0.001
S2	-1.375	-0.116	0.000
C3	1.245	-1.109	0.000
N4	0.884	1.268	-0.005
H5	0.696	-2.059	-0.015
H6	1.904	-1.054	-0.885
H7	1.881	-1.070	0.903
H8	1.892	1.357	0.018
H9	0.315	2.106	0.011

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6597	1.5179	1.3530	2.1598	2.1620	2.1610	2.0725	2.0464
S2	1.6597		2.8010	2.6491	2.8394	3.5236	3.5106	3.5833	2.7912
C3	1.5179	2.8010		2.4042	1.0970	1.1052	1.1053	2.5494	3.3462
N4	1.3530	2.6491	2.4042		3.3323	2.6846	2.6992	1.0119	1.0127
H5	2.1598	2.8394	1.0970	3.3323		1.7963	1.7956	3.6192	4.1819
H6	2.1620	3.5236	1.1052	2.6846	1.7963		1.7879	2.5744	3.6485
H7	2.1610	3.5106	1.1053	2.6992	1.7956	1.7879		2.5834	3.6515
H8	2.0725	3.5833	2.5494	1.0119	3.6192	2.5744	2.5834		1.7456
H9	2.0464	2.7912	3.3462	1.0127	4.1819	3.6485	3.6515	1.7456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.333	C1	C3	H6	110.021
C1	C3	H7	109.939	C1	N4	H8	121.744
C1	N4	H9	119.073	S2	C1	C3	123.587
S2	C1	N4	122.796	C3	C1	N4	113.616
H5	C3	H6	109.309	H5	C3	H7	109.235
H6	C3	H7	107.961	H8	N4	H9	119.126

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCSD=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: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)