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	hartrees
Energy at 0K	-531.473989
Energy at 298.15K	-531.467846
HF Energy	-530.609225
Nuclear repulsion energy	155.560604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3958	3958	62.42	59.05	0.72	0.84
2	A	3831	3831	91.92	94.66	0.14	0.25
3	A	3335	3335	3.72	45.87	0.68	0.81
4	A	3263	3263	19.62	76.07	0.74	0.85
5	A	3197	3197	19.59	125.86	0.05	0.09
6	A	1829	1829	200.40	4.29	0.71	0.83
7	A	1627	1627	11.26	11.52	0.70	0.82
8	A	1609	1609	16.88	16.87	0.70	0.83
9	A	1547	1547	26.23	7.30	0.55	0.71
10	A	1502	1502	345.02	2.48	0.30	0.47
11	A	1453	1453	75.79	1.01	0.75	0.85
12	A	1139	1139	3.10	1.27	0.67	0.81
13	A	1118	1118	9.94	2.99	0.61	0.76
14	A	1057	1057	75.12	2.46	0.22	0.36
15	A	774	774	26.47	12.09	0.12	0.21
16	A	702	702	40.30	0.58	0.75	0.86
17	A	555	555	0.22	5.08	0.75	0.86
18	A	469	469	11.86	2.05	0.67	0.80
19	A	450	450	240.76	0.15	0.71	0.83
20	A	400	400	4.21	2.20	0.69	0.82
21	A	52	52	0.62	0.90	0.66	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.285	0.070	-0.014
S2	-1.361	-0.120	0.001
C3	1.238	-1.103	-0.001
N4	0.868	1.264	-0.001
H5	0.784	-1.956	-0.485
H6	2.181	-0.864	-0.487
H7	1.442	-1.367	1.035
H8	1.856	1.368	-0.005
H9	0.305	2.083	0.028

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6568	1.5111	1.3288	2.1397	2.1665	2.1223	2.0385	2.0132
S2	1.6568		2.7786	2.6238	2.8660	3.6526	3.2378	3.5448	2.7619
C3	1.5111	2.7786		2.3949	1.0812	1.0881	1.0881	2.5471	3.3191
N4	1.3288	2.6238	2.3949		3.2574	2.5470	2.8846	0.9934	0.9943
H5	2.1397	2.8660	1.0812	3.2574		1.7734	1.7579	3.5259	4.0997
H6	2.1665	3.6526	1.0881	2.5470	1.7734		1.7652	2.3065	3.5309
H7	2.1223	3.2378	1.0881	2.8846	1.7579	1.7652		2.9553	3.7690
H8	2.0385	3.5448	2.5471	0.9934	3.5259	2.3065	2.9553		1.7080
H9	2.0132	2.7619	3.3191	0.9943	4.0997	3.5309	3.7690	1.7080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.147	C1	C3	H6	111.888
C1	C3	H7	108.368	C1	N4	H8	122.093
C1	N4	H9	119.440	S2	C1	C3	122.526
S2	C1	N4	122.618	C3	C1	N4	114.830
H5	C3	H6	109.671	H5	C3	H7	108.257
H6	C3	H7	108.414	H8	N4	H9	118.462

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)