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	hartrees
Energy at 0K	-529.233244
Energy at 298.15K
HF Energy	-529.087973
Nuclear repulsion energy	154.100821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3645	3645	35.10
2	A	3514	3514	59.90
3	A	3212	3212	1.15
4	A	3125	3125	11.57
5	A	3070	3070	11.66
6	A	1704	1704	119.13
7	A	1575	1575	11.42
8	A	1566	1566	7.95
9	A	1465	1465	12.04
10	A	1411	1411	266.39
11	A	1339	1339	31.88
12	A	1093	1093	2.66
13	A	1063	1063	17.54
14	A	993	993	18.81
15	A	721	721	4.90
16	A	681	681	122.65
17	A	526	526	96.47
18	A	509	509	78.57
19	A	432	432	1.18
20	A	384	384	1.87
21	A	53	53	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.063	0.001
S2	-1.373	-0.114	-0.000
C3	1.239	-1.120	-0.000
N4	0.889	1.272	0.000
H5	0.675	-2.049	0.013
H6	1.869	-1.092	-0.896
H7	1.888	-1.079	0.882
H8	1.899	1.362	-0.001
H9	0.321	2.113	-0.002

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6594	1.5258	1.3552	2.1495	2.1619	2.1627	2.0780	2.0499
S2	1.6594		2.7997	2.6531	2.8175	3.5031	3.5135	3.5895	2.7980
C3	1.5258	2.7997		2.4182	1.0868	1.0955	1.0955	2.5687	3.3610
N4	1.3552	2.6531	2.4182		3.3282	2.7116	2.7023	1.0138	1.0143
H5	2.1495	2.8175	1.0868	3.3282		1.7800	1.7803	3.6242	4.1767
H6	2.1619	3.5031	1.0955	2.7116	1.7800		1.7777	2.6121	3.6695
H7	2.1627	3.5135	1.0955	2.7023	1.7803	1.7777		2.5956	3.6635
H8	2.0780	3.5895	2.5687	1.0138	3.6242	2.6121	2.5956		1.7470
H9	2.0499	2.7980	3.3610	1.0143	4.1767	3.6695	3.6635	1.7470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.575	C1	C3	H6	110.046
C1	C3	H7	110.109	C1	N4	H8	121.947
C1	N4	H9	119.100	S2	C1	C3	122.987
S2	C1	N4	122.990	C3	C1	N4	114.023
H5	C3	H6	109.303	H5	C3	H7	109.327
H6	C3	H7	108.459	H8	N4	H9	118.953

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)