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	hartrees
Energy at 0K	-531.303657
Energy at 298.15K
HF Energy	-530.654104
Nuclear repulsion energy	153.732758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3732	3732	39.97
2	A	3591	3591	64.34
3	A	3179	3179	2.60
4	A	3101	3101	10.14
5	A	3033	3033	19.68
6	A	1659	1659	160.10
7	A	1479	1479	6.82
8	A	1475	1475	20.82
9	A	1410	1410	70.64
10	A	1382	1382	254.60
11	A	1337	1337	27.26
12	A	1028	1028	0.88
13	A	1021	1021	39.64
14	A	1003	1003	6.44
15	A	731	731	8.45
16	A	608	608	4.70
17	A	506	506	5.50
18	A	422	422	0.87
19	A	376	376	2.10
20	A	296	296	161.45
21	A	51	51	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.282	0.059	0.000
S2	-1.379	-0.116	-0.000
C3	1.247	-1.115	-0.000
N4	0.886	1.274	0.001
H5	0.691	-2.059	0.002
H6	1.892	-1.071	-0.896
H7	1.895	-1.069	0.893
H8	1.893	1.365	-0.002
H9	0.317	2.110	-0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6698	1.5194	1.3576	2.1571	2.1618	2.1619	2.0747	2.0522
S2	1.6698		2.8096	2.6577	2.8392	3.5236	3.5253	3.5920	2.7989
C3	1.5194	2.8096		2.4158	1.0962	1.1046	1.1046	2.5622	3.3564
N4	1.3576	2.6577	2.4158		3.3391	2.7050	2.7032	1.0115	1.0116
H5	2.1571	2.8392	1.0962	3.3391		1.7957	1.7957	3.6291	4.1864
H6	2.1618	3.5236	1.1046	2.7050	1.7957		1.7889	2.5950	3.6614
H7	2.1619	3.5253	1.1046	2.7032	1.7957	1.7889		2.5935	3.6608
H8	2.0747	3.5920	2.5622	1.0115	3.6291	2.5950	2.5935		1.7439
H9	2.0522	2.7989	3.3564	1.0116	4.1864	3.6614	3.6608	1.7439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.064	C1	C3	H6	109.940
C1	C3	H7	109.950	C1	N4	H8	121.586
C1	N4	H9	119.323	S2	C1	C3	123.453
S2	C1	N4	122.444	C3	C1	N4	114.103
H5	C3	H6	109.352	H5	C3	H7	109.358
H6	C3	H7	108.145	H8	N4	H9	119.091

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD/daug-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/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)