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	hartrees
Energy at 0K	-531.447593
Energy at 298.15K
HF Energy	-530.698701
Nuclear repulsion energy	155.695558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3795	3795	48.71
2	A	3661	3661	82.03
3	A	3221	3221	1.70
4	A	3142	3142	9.04
5	A	3078	3078	15.14
6	A	1670	1670	194.53
7	A	1511	1511	9.66
8	A	1507	1507	24.70
9	A	1432	1432	122.08
10	A	1414	1414	234.57
11	A	1360	1360	18.23
12	A	1056	1056	1.27
13	A	1034	1034	37.58
14	A	1018	1018	10.50
15	A	758	758	8.44
16	A	627	627	6.28
17	A	524	524	4.66
18	A	431	431	0.93
19	A	381	381	2.76
20	A	284	284	168.97
21	A	36	36	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.061	-0.006
S2	-1.359	-0.115	0.000
C3	1.229	-1.104	-0.000
N4	0.876	1.260	0.001
H5	0.691	-2.030	-0.151
H6	1.980	-0.986	-0.782
H7	1.746	-1.145	0.959
H8	1.873	1.345	-0.009
H9	0.314	2.088	0.013

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6416	1.5072	1.3428	2.1372	2.1475	2.1345	2.0517	2.0278
S2	1.6416		2.7715	2.6247	2.8100	3.5386	3.4098	3.5467	2.7661
C3	1.5072	2.7715		2.3903	1.0820	1.0902	1.0903	2.5316	3.3207
N4	1.3428	2.6247	2.3903		3.2991	2.6220	2.7314	1.0004	1.0010
H5	2.1372	2.8100	1.0820	3.2991		1.7749	1.7688	3.5786	4.1387
H6	2.1475	3.5386	1.0902	2.6220	1.7749		1.7640	2.4576	3.5855
H7	2.1345	3.4098	1.0903	2.7314	1.7688	1.7640		2.6741	3.6608
H8	2.0517	3.5467	2.5316	1.0004	3.5786	2.4576	2.6741		1.7278
H9	2.0278	2.7661	3.3207	1.0010	4.1387	3.5855	3.6608	1.7278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.182	C1	C3	H6	110.514
C1	C3	H7	109.481	C1	N4	H8	121.540
C1	N4	H9	119.085	S2	C1	C3	123.271
S2	C1	N4	122.841	C3	C1	N4	113.883
H5	C3	H6	109.591	H5	C3	H7	109.032
H6	C3	H7	107.995	H8	N4	H9	119.375

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3/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: MP3/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)