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	hartrees
Energy at 0K	-531.296040
Energy at 298.15K
HF Energy	-530.654423
Nuclear repulsion energy	154.135069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3748	3748	43.67
2	A	3607	3607	76.11
3	A	3188	3188	2.34
4	A	3109	3109	9.42
5	A	3040	3040	19.00
6	A	1667	1667	182.16
7	A	1481	1481	7.05
8	A	1480	1480	33.99
9	A	1415	1415	85.15
10	A	1392	1392	310.15
11	A	1347	1347	16.57
12	A	1033	1033	0.96
13	A	1026	1026	50.81
14	A	1011	1011	4.32
15	A	747	747	9.33
16	A	613	613	5.08
17	A	514	514	6.04
18	A	427	427	0.84
19	A	381	381	2.31
20	A	318	318	163.52
21	A	60	60	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.060	0.000
S2	-1.374	-0.116	-0.000
C3	1.243	-1.113	-0.000
N4	0.884	1.272	0.000
H5	0.687	-2.058	0.000
H6	1.889	-1.069	-0.894
H7	1.890	-1.069	0.894
H8	1.890	1.360	-0.001
H9	0.318	2.109	-0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6607	1.5187	1.3552	2.1565	2.1614	2.1613	2.0717	2.0502
S2	1.6607		2.8000	2.6497	2.8317	3.5152	3.5154	3.5822	2.7953
C3	1.5187	2.8000		2.4117	1.0957	1.1042	1.1042	2.5566	3.3525
N4	1.3552	2.6497	2.4117		3.3352	2.7004	2.7000	1.0105	1.0107
H5	2.1565	2.8317	1.0957	3.3352		1.7948	1.7947	3.6233	4.1834
H6	2.1614	3.5152	1.1042	2.7004	1.7948		1.7876	2.5884	3.6568
H7	2.1613	3.5154	1.1042	2.7000	1.7947	1.7876		2.5887	3.6569
H8	2.0717	3.5822	2.5566	1.0105	3.6233	2.5884	2.5887		1.7417
H9	2.0502	2.7953	3.3525	1.0107	4.1834	3.6568	3.6569	1.7417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.095	C1	C3	H6	109.978
C1	C3	H7	109.974	C1	N4	H8	121.577
C1	N4	H9	119.411	S2	C1	C3	123.389
S2	C1	N4	122.626	C3	C1	N4	113.986
H5	C3	H6	109.341	H5	C3	H7	109.333
H6	C3	H7	108.085	H8	N4	H9	119.012

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCD/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)