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	hartrees
Energy at 0K	-532.039507
Energy at 298.15K
HF Energy	-531.759501
Nuclear repulsion energy	155.436206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3727	3727	40.91
2	A	3592	3592	53.44
3	A	3193	3193	1.75
4	A	3106	3106	9.92
5	A	3052	3052	17.50
6	A	1649	1649	155.20
7	A	1504	1504	8.57
8	A	1498	1498	11.01
9	A	1416	1416	62.46
10	A	1393	1393	206.31
11	A	1336	1336	30.55
12	A	1046	1046	0.08
13	A	1029	1029	25.10
14	A	999	999	9.54
15	A	739	739	5.99
16	A	621	621	6.26
17	A	519	519	4.26
18	A	427	427	0.99
19	A	379	379	2.32
20	A	297	297	160.31
21	A	19	19	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.058	-0.002
S2	-1.362	-0.116	0.000
C3	1.232	-1.103	-0.000
N4	0.876	1.263	0.000
H5	0.688	-2.037	-0.037
H6	1.902	-1.043	-0.858
H7	1.844	-1.083	0.902
H8	1.875	1.356	-0.001
H9	0.307	2.090	0.004

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6476	1.5047	1.3452	2.1355	2.1428	2.1395	2.0593	2.0324
S2	1.6476		2.7763	2.6282	2.8097	3.5004	3.4685	3.5560	2.7667
C3	1.5047	2.7763		2.3927	1.0814	1.0903	1.0903	2.5421	3.3252
N4	1.3452	2.6282	2.3927		3.3050	2.6660	2.6929	1.0037	1.0042
H5	2.1355	2.8097	1.0814	3.3050		1.7709	1.7693	3.5949	4.1450
H6	2.1428	3.5004	1.0903	2.6660	1.7709		1.7620	2.5482	3.6203
H7	2.1395	3.4685	1.0903	2.6929	1.7693	1.7620		2.6010	3.6384
H8	2.0593	3.5560	2.5421	1.0037	3.5949	2.5482	2.6010		1.7310
H9	2.0324	2.7667	3.3252	1.0042	4.1450	3.6203	3.6384	1.7310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.256	C1	C3	H6	110.306
C1	C3	H7	110.042	C1	N4	H8	121.820
C1	N4	H9	119.070	S2	C1	C3	123.400
S2	C1	N4	122.526	C3	C1	N4	114.073
H5	C3	H6	109.262	H5	C3	H7	109.119
H6	C3	H7	107.808	H8	N4	H9	119.110

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULL/cc-pV(T+d)Z

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=FULL/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)