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	hartrees
Energy at 0K	-531.309189
Energy at 298.15K
HF Energy	-530.677130
Nuclear repulsion energy	155.138580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3765	3570	39.79
2	A	3634	3445	74.44
3	A	3210	3043	3.21
4	A	3141	2978	13.74
5	A	3074	2914	17.50
6	A	1681	1594	167.64
7	A	1511	1433	16.46
8	A	1508	1430	11.32
9	A	1444	1369	17.97
10	A	1410	1336	375.92
11	A	1364	1293	18.18
12	A	1064	1009	5.91
13	A	1038	984	23.36
14	A	1023	970	37.19
15	A	757	718	6.45
16	A	602	570	16.08
17	A	491	465	11.48
18	A	439	416	2.05
19	A	386	366	3.11
20	A	307	291	227.28
21	A	75	71	4.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.060	-0.011
S2	-1.365	-0.113	0.003
C3	1.232	-1.107	0.001
N4	0.884	1.264	-0.032
H5	0.733	-2.004	-0.350
H6	2.102	-0.905	-0.629
H7	1.580	-1.280	1.022
H8	1.876	1.342	0.106
H9	0.322	2.088	0.090

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6488	1.5097	1.3494	2.1419	2.1568	2.1370	2.0548	2.0314
S2	1.6488		2.7810	2.6371	2.8468	3.6117	3.3279	3.5544	2.7748
C3	1.5097	2.7810		2.3964	1.0853	1.0924	1.0929	2.5343	3.3236
N4	1.3494	2.6371	2.3964		3.2873	2.5582	2.8400	1.0050	1.0052
H5	2.1419	2.8468	1.0853	3.2873		1.7776	1.7680	3.5656	4.1370
H6	2.1568	3.6117	1.0924	2.5582	1.7776		1.7721	2.3748	3.5561
H7	2.1370	3.3279	1.0929	2.8400	1.7680	1.7721		2.7931	3.7142
H8	2.0548	3.5544	2.5343	1.0050	3.5656	2.3748	2.7931		1.7244
H9	2.0314	2.7748	3.3236	1.0052	4.1370	3.5561	3.7142	1.7244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.184	C1	C3	H6	110.951
C1	C3	H7	109.342	C1	N4	H8	120.873
C1	N4	H9	118.524	S2	C1	C3	123.346
S2	C1	N4	122.870	C3	C1	N4	113.784
H5	C3	H6	109.421	H5	C3	H7	108.517
H6	C3	H7	108.371	H8	N4	H9	118.146

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)