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	hartrees
Energy at 0K	-531.923883
Energy at 298.15K
HF Energy	-531.714759
Nuclear repulsion energy	154.267252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3717	40.70
2	A	3574	3574	51.54
3	A	3196	3196	1.84
4	A	3111	3111	8.85
5	A	3044	3044	19.07
6	A	1645	1645	158.90
7	A	1474	1474	8.00
8	A	1470	1470	17.41
9	A	1399	1399	93.45
10	A	1376	1376	182.12
11	A	1328	1328	32.29
12	A	1027	1027	0.56
13	A	1021	1021	27.35
14	A	995	995	6.88
15	A	733	733	6.35
16	A	614	614	6.19
17	A	510	510	6.38
18	A	424	424	1.00
19	A	377	377	1.91
20	A	340	340	155.55
21	A	47	47	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.282	0.057	-0.000
S2	-1.373	-0.117	0.000
C3	1.243	-1.110	-0.000
N4	0.880	1.272	-0.000
H5	0.691	-2.050	-0.001
H6	1.890	-1.068	-0.889
H7	1.889	-1.069	0.889
H8	1.885	1.371	0.000
H9	0.307	2.104	0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6649	1.5114	1.3537	2.1463	2.1540	2.1539	2.0719	2.0467
S2	1.6649		2.7985	2.6468	2.8277	3.5131	3.5126	3.5817	2.7847
C3	1.5114	2.7985		2.4090	1.0909	1.0997	1.0997	2.5618	3.3469
N4	1.3537	2.6468	2.4090		3.3273	2.6993	2.6998	1.0099	1.0100
H5	2.1463	2.8277	1.0909	3.3273		1.7862	1.7862	3.6231	4.1714
H6	2.1540	3.5131	1.0997	2.6993	1.7862		1.7782	2.5958	3.6547
H7	2.1539	3.5126	1.0997	2.6998	1.7862	1.7782		2.5966	3.6550
H8	2.0719	3.5817	2.5618	1.0099	3.6231	2.5958	2.5966		1.7400
H9	2.0467	2.7847	3.3469	1.0100	4.1714	3.6547	3.6550	1.7400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.082	C1	C3	H6	110.164
C1	C3	H7	110.160	C1	N4	H8	121.790
C1	N4	H9	119.256	S2	C1	C3	123.470
S2	C1	N4	122.187	C3	C1	N4	114.343
H5	C3	H6	109.253	H5	C3	H7	109.248
H6	C3	H7	107.893	H8	N4	H9	118.953

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)