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	hartrees
Energy at 0K	-531.258402
Energy at 298.15K
HF Energy	-530.625623
Nuclear repulsion energy	155.318919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3841	3578	49.30
2	A	3706	3452	89.33
3	A	3275	3051	2.45
4	A	3203	2984	11.68
5	A	3130	2916	18.30
6	A	1711	1594	189.78
7	A	1537	1431	13.64
8	A	1536	1431	12.41
9	A	1465	1365	22.28
10	A	1433	1335	421.44
11	A	1378	1283	21.69
12	A	1068	995	9.83
13	A	1049	977	30.61
14	A	1034	963	23.82
15	A	766	714	8.75
16	A	592	552	3.57
17	A	490	457	29.83
18	A	443	413	0.95
19	A	389	363	1.38
20	A	66	62	13.41
21	A	30	28	177.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.058	-0.012
S2	-1.363	-0.111	0.001
C3	1.229	-1.108	0.001
N4	0.884	1.261	-0.003
H5	0.713	-2.018	-0.278
H6	2.058	-0.938	-0.686
H7	1.636	-1.231	1.004
H8	1.883	1.346	-0.002
H9	0.331	2.098	0.033

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6443	1.5088	1.3497	2.1385	2.1529	2.1342	2.0629	2.0413
S2	1.6443		2.7777	2.6333	2.8322	3.5859	3.3554	3.5588	2.7845
C3	1.5088	2.7777		2.3945	1.0822	1.0895	1.0897	2.5402	3.3299
N4	1.3497	2.6333	2.3945		3.2947	2.5848	2.7912	1.0030	1.0036
H5	2.1385	2.8322	1.0822	3.2947		1.7723	1.7650	3.5724	4.1449
H6	2.1529	3.5859	1.0895	2.5848	1.7723		1.7663	2.3909	3.5659
H7	2.1342	3.3554	1.0897	2.7912	1.7650	1.7663		2.7778	3.7052
H8	2.0629	3.5588	2.5402	1.0030	3.5724	2.3909	2.7778		1.7249
H9	2.0413	2.7845	3.3299	1.0036	4.1449	3.5659	3.7052	1.7249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.155	C1	C3	H6	110.874
C1	C3	H7	109.372	C1	N4	H8	121.823
C1	N4	H9	119.594	S2	C1	C3	123.452
S2	C1	N4	122.861	C3	C1	N4	113.670
H5	C3	H6	109.388	H5	C3	H7	108.707
H6	C3	H7	108.296	H8	N4	H9	118.555

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

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

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)