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	hartrees
Energy at 0K	-531.319694
Energy at 298.15K
HF Energy	-530.692158
Nuclear repulsion energy	156.331228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3873	3570	56.85
2	A	3738	3446	83.96
3	A	3284	3027	1.50
4	A	3202	2952	7.36
5	A	3138	2893	14.42
6	A	1725	1590	187.16
7	A	1557	1436	8.23
8	A	1551	1430	16.43
9	A	1480	1364	46.86
10	A	1447	1333	364.97
11	A	1397	1288	26.43
12	A	1086	1001	0.25
13	A	1067	984	39.98
14	A	1047	965	20.20
15	A	771	711	12.84
16	A	642	591	6.80
17	A	547	504	2.00
18	A	446	411	0.99
19	A	394	363	2.63
20	A	375	346	176.30
21	A	25	23	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.061	0.000
S2	-1.354	-0.117	-0.000
C3	1.229	-1.097	0.000
N4	0.867	1.256	-0.000
H5	0.691	-2.030	0.002
H6	1.863	-1.050	-0.880
H7	1.867	-1.048	0.877
H8	1.859	1.346	0.000
H9	0.308	2.082	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6365	1.5017	1.3349	2.1317	2.1304	2.1306	2.0415	2.0211
S2	1.6365		2.7628	2.6114	2.7999	3.4635	3.4656	3.5306	2.7563
C3	1.5017	2.7628		2.3806	1.0768	1.0853	1.0853	2.5224	3.3092
N4	1.3349	2.6114	2.3806		3.2903	2.6620	2.6603	0.9962	0.9969
H5	2.1317	2.7999	1.0768	3.2903		1.7637	1.7638	3.5716	4.1289
H6	2.1304	3.4635	1.0853	2.6620	1.7637		1.7564	2.5525	3.6057
H7	2.1306	3.4656	1.0853	2.6603	1.7638	1.7564		2.5491	3.6046
H8	2.0415	3.5306	2.5224	0.9962	3.5716	2.5525	2.5491		1.7168
H9	2.0211	2.7563	3.3092	0.9969	4.1289	3.6057	3.6046	1.7168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.447	C1	C3	H6	109.828
C1	C3	H7	109.848	C1	N4	H8	121.594
C1	N4	H9	119.461	S2	C1	C3	123.321
S2	C1	N4	122.681	C3	C1	N4	113.998
H5	C3	H6	109.317	H5	C3	H7	109.327
H6	C3	H7	108.032	H8	N4	H9	118.946

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CISD/6-311+G(3df,2p)

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: CISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)