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	hartrees
Energy at 0K	-531.308139
Energy at 298.15K
HF Energy	-530.677255
Nuclear repulsion energy	155.229189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3787	3541	40.50
2	A	3658	3421	75.13
3	A	3228	3019	3.06
4	A	3158	2954	13.29
5	A	3092	2892	16.81
6	A	1686	1577	172.58
7	A	1513	1415	17.97
8	A	1509	1411	11.91
9	A	1446	1353	20.38
10	A	1415	1324	357.46
11	A	1368	1279	17.57
12	A	1065	996	6.02
13	A	1039	972	21.28
14	A	1026	959	34.36
15	A	760	711	6.25
16	A	605	566	17.21
17	A	490	458	12.12
18	A	440	411	2.54
19	A	387	362	4.09
20	A	321	300	223.55
21	A	77	72	3.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.060	-0.011
S2	-1.364	-0.114	0.003
C3	1.232	-1.106	0.001
N4	0.882	1.264	-0.032
H5	0.734	-2.001	-0.354
H6	2.103	-0.902	-0.625
H7	1.576	-1.282	1.022
H8	1.873	1.342	0.108
H9	0.319	2.085	0.091

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6490	1.5085	1.3483	2.1394	2.1549	2.1352	2.0518	2.0282
S2	1.6490		2.7798	2.6356	2.8448	3.6107	3.3241	3.5511	2.7706
C3	1.5085	2.7798		2.3958	1.0840	1.0911	1.0917	2.5328	3.3207
N4	1.3483	2.6356	2.3958		3.2842	2.5562	2.8416	1.0035	1.0037
H5	2.1394	2.8448	1.0840	3.2842		1.7760	1.7656	3.5620	4.1315
H6	2.1549	3.6107	1.0911	2.5562	1.7760		1.7700	2.3726	3.5528
H7	2.1352	3.3241	1.0917	2.8416	1.7656	1.7700		2.7945	3.7131
H8	2.0518	3.5511	2.5328	1.0035	3.5620	2.3726	2.7945		1.7227
H9	2.0282	2.7706	3.3207	1.0037	4.1315	3.5528	3.7131	1.7227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.145	C1	C3	H6	110.960
C1	C3	H7	109.355	C1	N4	H8	120.775
C1	N4	H9	118.417	S2	C1	C3	123.316
S2	C1	N4	122.810	C3	C1	N4	113.874
H5	C3	H6	109.469	H5	C3	H7	108.488
H6	C3	H7	108.368	H8	N4	H9	118.245

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3/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: MP3/TZVP

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)