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	hartrees
Energy at 0K	-531.292723
Energy at 298.15K
HF Energy	-530.653462
Nuclear repulsion energy	154.131771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3751	3618	43.69
2	A	3609	3481	76.24
3	A	3192	3079	2.29
4	A	3113	3003	9.35
5	A	3044	2936	18.62
6	A	1667	1607	183.43
7	A	1481	1428	7.08
8	A	1480	1427	32.61
9	A	1414	1364	82.16
10	A	1392	1343	316.16
11	A	1348	1300	15.45
12	A	1033	997	0.92
13	A	1027	991	52.11
14	A	1012	976	3.10
15	A	748	722	9.41
16	A	610	588	5.11
17	A	513	495	6.98
18	A	427	412	0.82
19	A	381	367	2.29
20	A	288	278	165.13
21	A	52	50	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.059	0.000
S2	-1.374	-0.116	-0.000
C3	1.243	-1.112	0.000
N4	0.883	1.271	0.000
H5	0.689	-2.058	0.002
H6	1.888	-1.068	-0.896
H7	1.892	-1.066	0.893
H8	1.890	1.359	-0.001
H9	0.317	2.109	-0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6607	1.5183	1.3554	2.1570	2.1609	2.1611	2.0718	2.0500
S2	1.6607		2.8005	2.6498	2.8334	3.5147	3.5166	3.5822	2.7945
C3	1.5183	2.8005		2.4108	1.0964	1.1048	1.1048	2.5551	3.3515
N4	1.3554	2.6498	2.4108		3.3354	2.6996	2.6979	1.0106	1.0108
H5	2.1570	2.8334	1.0964	3.3354		1.7959	1.7960	3.6228	4.1836
H6	2.1609	3.5147	1.1048	2.6996	1.7959		1.7891	2.5877	3.6558
H7	2.1611	3.5166	1.1048	2.6979	1.7960	1.7891		2.5851	3.6549
H8	2.0718	3.5822	2.5551	1.0106	3.6228	2.5877	2.5851		1.7423
H9	2.0500	2.7945	3.3515	1.0108	4.1836	3.6558	3.6549	1.7423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.123	C1	C3	H6	109.931
C1	C3	H7	109.948	C1	N4	H8	121.558
C1	N4	H9	119.368	S2	C1	C3	123.454
S2	C1	N4	122.613	C3	C1	N4	113.934
H5	C3	H6	109.337	H5	C3	H7	109.345
H6	C3	H7	108.123	H8	N4	H9	119.075

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCD/aug-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/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)