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	hartrees
Energy at 0K	-531.259754
Energy at 298.15K
HF Energy	-530.653245
Nuclear repulsion energy	154.148611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3731	3578	47.49
2	A	3578	3431	69.74
3	A	3212	3080	1.36
4	A	3137	3008	7.01
5	A	3057	2931	16.99
6	A	1642	1574	172.87
7	A	1475	1414	9.16
8	A	1474	1414	25.77
9	A	1398	1340	180.09
10	A	1383	1326	151.67
11	A	1333	1278	9.18
12	A	1026	984	31.33
13	A	1022	980	1.23
14	A	998	957	2.36
15	A	749	719	3.45
16	A	605	581	4.17
17	A	506	485	10.99
18	A	423	406	0.61
19	A	380	364	1.56
20	A	275	264	159.46
21	A	45	43	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.055	-0.000
S2	-1.374	-0.115	-0.000
C3	1.241	-1.112	-0.000
N4	0.885	1.272	0.001
H5	0.687	-2.057	-0.002
H6	1.889	-1.068	-0.892
H7	1.886	-1.070	0.895
H8	1.894	1.359	-0.002
H9	0.316	2.109	-0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6589	1.5146	1.3601	2.1516	2.1582	2.1578	2.0775	2.0544
S2	1.6589		2.7987	2.6504	2.8314	3.5144	3.5123	3.5846	2.7930
C3	1.5146	2.7987		2.4103	1.0953	1.1034	1.1034	2.5561	3.3519
N4	1.3601	2.6504	2.4103		3.3343	2.6975	2.6986	1.0124	1.0129
H5	2.1516	2.8314	1.0953	3.3343		1.7935	1.7933	3.6230	4.1826
H6	2.1582	3.5144	1.1034	2.6975	1.7935		1.7864	2.5846	3.6556
H7	2.1578	3.5123	1.1034	2.6986	1.7933	1.7864		2.5893	3.6570
H8	2.0775	3.5846	2.5561	1.0124	3.6230	2.5846	2.5893		1.7473
H9	2.0544	2.7930	3.3519	1.0129	4.1826	3.6556	3.6570	1.7473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.015	C1	C3	H6	110.056
C1	C3	H7	110.027	C1	N4	H8	121.548
C1	N4	H9	119.209	S2	C1	C3	123.683
S2	C1	N4	122.472	C3	C1	N4	113.845
H5	C3	H6	109.318	H5	C3	H7	109.296
H6	C3	H7	108.095	H8	N4	H9	119.242

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2/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: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)