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	hartrees
Energy at 0K	-528.260751
Energy at 298.15K
HF Energy	-527.928667
Nuclear repulsion energy	152.863652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3707	3489	45.15
2	A	3584	3374	93.59
3	A	3241	3050	0.85
4	A	3153	2968	10.86
5	A	3100	2918	10.41
6	A	1760	1656	142.96
7	A	1598	1504	11.68
8	A	1589	1496	9.40
9	A	1500	1412	12.25
10	A	1452	1367	330.69
11	A	1386	1305	47.55
12	A	1116	1051	2.81
13	A	1095	1031	19.24
14	A	997	938	42.46
15	A	738	695	196.61
16	A	699	658	20.16
17	A	587	553	92.73
18	A	524	494	32.14
19	A	441	415	2.07
20	A	381	359	3.00
21	A	49	46	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.306	0.068	-0.000
S2	-1.398	-0.111	-0.000
C3	1.251	-1.122	-0.000
N4	0.904	1.266	0.000
H5	0.679	-2.045	0.000
H6	1.890	-1.091	-0.889
H7	1.890	-1.091	0.889
H8	1.909	1.365	-0.000
H9	0.336	2.103	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.7139	1.5200	1.3392	2.1460	2.1550	2.1550	2.0623	2.0352
S2	1.7139		2.8362	2.6829	2.8382	3.5450	3.5449	3.6223	2.8129
C3	1.5200	2.8362		2.4138	1.0863	1.0951	1.0951	2.5726	3.3526
N4	1.3392	2.6829	2.4138		3.3194	2.7059	2.7059	1.0106	1.0109
H5	2.1460	2.8382	1.0863	3.3194		1.7800	1.7800	3.6254	4.1625
H6	2.1550	3.5450	1.0951	2.7059	1.7800		1.7777	2.6119	3.6617
H7	2.1550	3.5449	1.0951	2.7059	1.7800	1.7777		2.6120	3.6618
H8	2.0623	3.6223	2.5726	1.0106	3.6254	2.6119	2.6120		1.7379
H9	2.0352	2.8129	3.3526	1.0109	4.1625	3.6617	3.6618	1.7379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.723	C1	C3	H6	109.921
C1	C3	H7	109.919	C1	N4	H8	122.094
C1	N4	H9	119.341	S2	C1	C3	122.457
S2	C1	N4	122.513	C3	C1	N4	115.031
H5	C3	H6	109.371	H5	C3	H7	109.368
H6	C3	H7	108.517	H8	N4	H9	118.565

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)