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	hartrees
Energy at 0K	-531.921874
Energy at 298.15K
HF Energy	-531.713760
Nuclear repulsion energy	154.258267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3719	3578	41.08
2	A	3575	3440	51.89
3	A	3199	3079	1.72
4	A	3114	2996	8.71
5	A	3047	2932	18.52
6	A	1644	1582	160.37
7	A	1473	1417	8.00
8	A	1469	1414	17.05
9	A	1399	1346	91.22
10	A	1376	1324	185.03
11	A	1329	1279	32.51
12	A	1025	987	0.55
13	A	1021	982	28.36
14	A	996	958	5.78
15	A	734	706	6.39
16	A	612	589	6.27
17	A	509	490	7.35
18	A	423	407	0.98
19	A	377	363	1.87
20	A	318	306	157.55
21	A	30	29	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.282	0.057	0.000
S2	-1.373	-0.117	0.000
C3	1.244	-1.109	-0.000
N4	0.880	1.272	0.000
H5	0.691	-2.051	0.000
H6	1.890	-1.068	-0.890
H7	1.890	-1.068	0.890
H8	1.885	1.370	0.000
H9	0.306	2.103	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6649	1.5111	1.3539	2.1467	2.1542	2.1542	2.0722	2.0464
S2	1.6649		2.7988	2.6469	2.8285	3.5134	3.5136	3.5819	2.7839
C3	1.5111	2.7988		2.4085	1.0916	1.1004	1.1004	2.5612	3.3462
N4	1.3539	2.6469	2.4085		3.3277	2.6994	2.6993	1.0100	1.0101
H5	2.1467	2.8285	1.0916	3.3277		1.7872	1.7872	3.6235	4.1715
H6	2.1542	3.5134	1.1004	2.6994	1.7872		1.7795	2.5959	3.6546
H7	2.1542	3.5136	1.1004	2.6993	1.7872	1.7795		2.5957	3.6545
H8	2.0722	3.5819	2.5612	1.0100	3.6235	2.5959	2.5957		1.7405
H9	2.0464	2.7839	3.3462	1.0101	4.1715	3.6546	3.6545	1.7405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.090	C1	C3	H6	110.164
C1	C3	H7	110.165	C1	N4	H8	121.797
C1	N4	H9	119.204	S2	C1	C3	123.505
S2	C1	N4	122.182	C3	C1	N4	114.313
H5	C3	H6	109.235	H5	C3	H7	109.234
H6	C3	H7	107.912	H8	N4	H9	118.999

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

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

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)