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	hartrees
Energy at 0K	-531.351575
Energy at 298.15K
HF Energy	-530.635310
Nuclear repulsion energy	155.046900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3786	3587	50.57
2	A	3649	3457	89.77
3	A	3226	3056	1.15
4	A	3151	2985	7.14
5	A	3083	2921	11.10
6	A	1666	1579	171.29
7	A	1516	1436	8.21
8	A	1514	1434	17.67
9	A	1441	1365	111.59
10	A	1417	1343	185.64
11	A	1354	1283	37.91
12	A	1052	996	0.03
13	A	1040	985	28.83
14	A	1014	960	9.77
15	A	741	702	9.23
16	A	631	598	7.80
17	A	523	495	2.48
18	A	429	407	1.04
19	A	379	359	2.67
20	A	297	281	176.14
21	A	37	35	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.061	0.000
S2	-1.367	-0.119	0.000
C3	1.242	-1.102	0.000
N4	0.874	1.264	-0.001
H5	0.699	-2.043	0.004
H6	1.881	-1.057	-0.887
H7	1.887	-1.053	0.883
H8	1.874	1.358	0.004
H9	0.307	2.094	0.002

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6528	1.5119	1.3441	2.1459	2.1480	2.1484	2.0585	2.0338
S2	1.6528		2.7886	2.6335	2.8238	3.4958	3.4991	3.5616	2.7748
C3	1.5119	2.7886		2.3949	1.0864	1.0943	1.0943	2.5401	3.3302
N4	1.3441	2.6335	2.3949		3.3120	2.6813	2.6792	1.0042	1.0050
H5	2.1459	2.8238	1.0864	3.3120		1.7785	1.7786	3.5984	4.1558
H6	2.1480	3.4958	1.0943	2.6813	1.7785		1.7698	2.5745	3.6330
H7	2.1484	3.4991	1.0943	2.6792	1.7786	1.7698		2.5666	3.6302
H8	2.0585	3.5616	2.5401	1.0042	3.5984	2.5745	2.5666		1.7309
H9	2.0338	2.7748	3.3302	1.0050	4.1558	3.6330	3.6302	1.7309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.283	C1	C3	H6	109.983
C1	C3	H7	110.014	C1	N4	H8	121.788
C1	N4	H9	119.243	S2	C1	C3	123.509
S2	C1	N4	122.645	C3	C1	N4	113.847
H5	C3	H6	109.292	H5	C3	H7	109.295
H6	C3	H7	107.932	H8	N4	H9	118.966

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)