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	hartrees
Energy at 0K	-531.985053
Energy at 298.15K
HF Energy	-531.733701
Nuclear repulsion energy	154.821035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3731	3731	39.60
2	A	3596	3596	62.55
3	A	3189	3189	2.67
4	A	3117	3117	14.79
5	A	3053	3053	18.39
6	A	1654	1654	162.90
7	A	1505	1505	12.14
8	A	1493	1493	13.57
9	A	1417	1417	64.02
10	A	1400	1400	208.87
11	A	1337	1337	46.34
12	A	1047	1047	2.54
13	A	1025	1025	17.94
14	A	1000	1000	19.81
15	A	740	740	7.19
16	A	616	616	10.07
17	A	500	500	13.00
18	A	433	433	0.73
19	A	379	379	1.11
20	A	251	251	186.75
21	A	59	59	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.061	-0.014
S2	-1.368	-0.113	0.001
C3	1.234	-1.109	0.000
N4	0.884	1.265	-0.001
H5	0.737	-2.003	-0.365
H6	2.120	-0.910	-0.610
H7	1.562	-1.292	1.028
H8	1.886	1.357	-0.005
H9	0.318	2.098	0.032

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6571	1.5106	1.3474	2.1431	2.1641	2.1356	2.0642	2.0375
S2	1.6571		2.7869	2.6408	2.8529	3.6294	3.3214	3.5713	2.7810
C3	1.5106	2.7869		2.4002	1.0859	1.0936	1.0936	2.5508	3.3354
N4	1.3474	2.6408	2.4002		3.2916	2.5742	2.8387	1.0064	1.0070
H5	2.1431	2.8529	1.0859	3.2916		1.7792	1.7677	3.5689	4.1410
H6	2.1641	3.6294	1.0936	2.5742	1.7792		1.7718	2.3573	3.5636
H7	2.1356	3.3214	1.0936	2.8387	1.7677	1.7718		2.8615	3.7456
H8	2.0642	3.5713	2.5508	1.0064	3.5689	2.3573	2.8615		1.7347
H9	2.0375	2.7810	3.3354	1.0070	4.1410	3.5636	3.7456	1.7347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.183	C1	C3	H6	111.395
C1	C3	H7	109.135	C1	N4	H8	121.874
C1	N4	H9	119.140	S2	C1	C3	123.165
S2	C1	N4	122.688	C3	C1	N4	114.121
H5	C3	H6	109.442	H5	C3	H7	108.403
H6	C3	H7	108.211	H8	N4	H9	118.974

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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: B2PLYP=FULLultrafine/6-311G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)