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	hartrees
Energy at 0K	-528.439606
Energy at 298.15K
HF Energy	-528.029161
Nuclear repulsion energy	153.933856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3655	3477	39.09
2	A	3518	3347	84.83
3	A	3216	3060	1.17
4	A	3144	2991	11.65
5	A	3081	2931	10.67
6	A	1723	1639	117.39
7	A	1590	1512	10.12
8	A	1586	1509	7.04
9	A	1475	1403	10.62
10	A	1429	1359	307.74
11	A	1343	1278	35.49
12	A	1101	1048	1.26
13	A	1070	1018	26.77
14	A	1005	957	15.38
15	A	729	694	2.79
16	A	670	637	96.66
17	A	516	491	2.84
18	A	497	472	206.52
19	A	439	417	0.87
20	A	391	372	1.80
21	A	67	63	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.065	0.001
S2	-1.372	-0.113	-0.000
C3	1.239	-1.126	-0.000
N4	0.891	1.276	0.001
H5	0.666	-2.052	0.011
H6	1.869	-1.098	-0.898
H7	1.885	-1.086	0.885
H8	1.902	1.362	-0.002
H9	0.326	2.120	-0.002

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6547	1.5334	1.3601	2.1530	2.1693	2.1697	2.0828	2.0557
S2	1.6547		2.8009	2.6558	2.8133	3.5042	3.5132	3.5914	2.8053
C3	1.5334	2.8009		2.4270	1.0893	1.0968	1.0968	2.5747	3.3715
N4	1.3601	2.6558	2.4270		3.3358	2.7199	2.7115	1.0146	1.0155
H5	2.1530	2.8133	1.0893	3.3358		1.7840	1.7842	3.6310	4.1856
H6	2.1693	3.5042	1.0968	2.7199	1.7840		1.7833	2.6181	3.6790
H7	2.1697	3.5132	1.0968	2.7115	1.7842	1.7833		2.6043	3.6739
H8	2.0828	3.5914	2.5747	1.0146	3.6310	2.6181	2.6043		1.7488
H9	2.0557	2.8053	3.3715	1.0155	4.1856	3.6790	3.6739	1.7488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.186	C1	C3	H6	110.021
C1	C3	H7	110.054	C1	N4	H8	121.905
C1	N4	H9	119.133	S2	C1	C3	122.897
S2	C1	N4	123.215	C3	C1	N4	113.889
H5	C3	H6	109.389	H5	C3	H7	109.407
H6	C3	H7	108.768	H8	N4	H9	118.961

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)