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	hartrees
Energy at 0K	-531.229238
Energy at 298.15K
HF Energy	-530.625216
Nuclear repulsion energy	155.230693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3799	3568	53.00
2	A	3650	3428	81.07
3	A	3268	3069	1.72
4	A	3204	3009	10.31
5	A	3119	2929	17.37
6	A	1685	1582	173.69
7	A	1528	1435	11.74
8	A	1527	1434	12.19
9	A	1446	1358	22.66
10	A	1424	1337	360.30
11	A	1360	1277	19.23
12	A	1060	996	9.78
13	A	1040	977	32.37
14	A	1024	962	2.85
15	A	765	718	3.09
16	A	587	551	3.18
17	A	483	454	35.70
18	A	440	413	1.07
19	A	388	364	0.94
20	A	74	69	0.66
21	A	130i	122i	183.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.270	0.055	-0.013
S2	-1.363	-0.109	0.001
C3	1.226	-1.110	0.001
N4	0.888	1.261	-0.003
H5	0.717	-2.012	-0.318
H6	2.079	-0.927	-0.652
H7	1.597	-1.263	1.015
H8	1.891	1.345	-0.002
H9	0.335	2.102	0.038

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6421	1.5073	1.3551	2.1369	2.1551	2.1345	2.0712	2.0483
S2	1.6421		2.7763	2.6359	2.8378	3.5981	3.3357	3.5645	2.7880
C3	1.5073	2.7763		2.3954	1.0835	1.0903	1.0904	2.5436	3.3337
N4	1.3551	2.6359	2.3954		3.2928	2.5744	2.8123	1.0063	1.0074
H5	2.1369	2.8378	1.0835	3.2928		1.7729	1.7648	3.5701	4.1470
H6	2.1551	3.5981	1.0903	2.5744	1.7729		1.7678	2.3704	3.5628
H7	2.1345	3.3357	1.0904	2.8123	1.7648	1.7678		2.8142	3.7241
H8	2.0712	3.5645	2.5436	1.0063	3.5701	2.3704	2.8142		1.7313
H9	2.0483	2.7880	3.3337	1.0074	4.1470	3.5628	3.7241	1.7313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.061	C1	C3	H6	111.108
C1	C3	H7	109.462	C1	N4	H8	121.894
C1	N4	H9	119.495	S2	C1	C3	123.598
S2	C1	N4	122.866	C3	C1	N4	113.513
H5	C3	H6	109.287	H5	C3	H7	108.543
H6	C3	H7	108.324	H8	N4	H9	118.574

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)