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	hartrees
Energy at 0K	-531.233552
Energy at 298.15K
HF Energy	-530.625547
Nuclear repulsion energy	155.163546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3839	3572	49.31
2	A	3703	3446	89.13
3	A	3271	3044	2.50
4	A	3199	2977	11.86
5	A	3127	2910	18.50
6	A	1708	1589	190.11
7	A	1535	1428	14.62
8	A	1533	1427	10.83
9	A	1463	1361	21.68
10	A	1430	1331	420.04
11	A	1376	1280	22.13
12	A	1066	992	10.03
13	A	1047	974	30.21
14	A	1032	960	24.49
15	A	765	712	8.87
16	A	589	548	3.50
17	A	486	452	29.95
18	A	442	411	1.02
19	A	388	361	1.41
20	A	67	63	0.83
21	A	118i	109i	189.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.058	-0.012
S2	-1.365	-0.112	0.001
C3	1.231	-1.109	0.001
N4	0.885	1.262	-0.003
H5	0.714	-2.019	-0.281
H6	2.061	-0.938	-0.685
H7	1.636	-1.234	1.006
H8	1.885	1.347	-0.000
H9	0.331	2.100	0.035

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6461	1.5105	1.3509	2.1403	2.1550	2.1366	2.0643	2.0428
S2	1.6461		2.7806	2.6359	2.8349	3.5902	3.3580	3.5620	2.7868
C3	1.5105	2.7806		2.3970	1.0833	1.0907	1.0908	2.5424	3.3329
N4	1.3509	2.6359	2.3970		3.2975	2.5865	2.7957	1.0037	1.0043
H5	2.1403	2.8349	1.0833	3.2975		1.7742	1.7670	3.5751	4.1482
H6	2.1550	3.5902	1.0907	2.5865	1.7742		1.7683	2.3920	3.5688
H7	2.1366	3.3580	1.0908	2.7957	1.7670	1.7683		2.7817	3.7095
H8	2.0643	3.5620	2.5424	1.0037	3.5751	2.3920	2.7817		1.7266
H9	2.0428	2.7868	3.3329	1.0043	4.1482	3.5688	3.7095	1.7266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.120	C1	C3	H6	110.857
C1	C3	H7	109.385	C1	N4	H8	121.793
C1	N4	H9	119.572	S2	C1	C3	123.444
S2	C1	N4	122.857	C3	C1	N4	113.682
H5	C3	H6	109.393	H5	C3	H7	108.726
H6	C3	H7	108.311	H8	N4	H9	118.598

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)