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	hartrees
Energy at 0K	-531.330837
Energy at 298.15K
HF Energy	-530.699030
Nuclear repulsion energy	156.343641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3872	3872	55.69
2	A	3734	3734	84.73
3	A	3285	3285	1.86
4	A	3206	3206	9.95
5	A	3142	3142	14.67
6	A	1716	1716	190.57
7	A	1556	1556	9.16
8	A	1547	1547	19.56
9	A	1477	1477	54.44
10	A	1447	1447	319.82
11	A	1397	1397	28.06
12	A	1089	1089	1.18
13	A	1065	1065	32.95
14	A	1044	1044	23.92
15	A	771	771	12.69
16	A	648	648	8.75
17	A	544	544	2.20
18	A	443	443	1.08
19	A	391	391	3.18
20	A	335	335	176.91
21	A	33	33	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.061	-0.007
S2	-1.354	-0.115	0.000
C3	1.226	-1.099	-0.000
N4	0.872	1.255	-0.001
H5	0.696	-2.019	-0.180
H6	1.993	-0.966	-0.755
H7	1.712	-1.155	0.968
H8	1.863	1.341	-0.001
H9	0.312	2.078	0.019

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6374	1.5008	1.3352	2.1296	2.1381	2.1211	2.0408	2.0173
S2	1.6374		2.7614	2.6136	2.8043	3.5357	3.3793	3.5314	2.7540
C3	1.5008	2.7614		2.3802	1.0764	1.0844	1.0847	2.5221	3.3057
N4	1.3352	2.6136	2.3802		3.2832	2.5996	2.7301	0.9949	0.9956
H5	2.1296	2.8043	1.0764	3.2832		1.7662	1.7590	3.5613	4.1196
H6	2.1381	3.5357	1.0844	2.5996	1.7662		1.7556	2.4310	3.5627
H7	2.1211	3.3793	1.0847	2.7301	1.7590	1.7556		2.6823	3.6486
H8	2.0408	3.5314	2.5221	0.9949	3.5613	2.4310	2.6823		1.7171
H9	2.0173	2.7540	3.3057	0.9956	4.1196	3.5627	3.6486	1.7171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.361	C1	C3	H6	110.557
C1	C3	H7	109.185	C1	N4	H8	121.606
C1	N4	H9	119.162	S2	C1	C3	123.207
S2	C1	N4	122.784	C3	C1	N4	114.002
H5	C3	H6	109.647	H5	C3	H7	108.969
H6	C3	H7	108.072	H8	N4	H9	119.223

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CISD/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)