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	hartrees
Energy at 0K	-531.444129
Energy at 298.15K
HF Energy	-530.698617
Nuclear repulsion energy	155.650317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3778	3597	48.04
2	A	3641	3467	81.04
3	A	3206	3053	1.76
4	A	3127	2977	9.07
5	A	3062	2915	15.77
6	A	1668	1589	188.28
7	A	1510	1438	8.31
8	A	1507	1435	23.06
9	A	1431	1363	98.97
10	A	1412	1344	276.53
11	A	1358	1294	17.10
12	A	1055	1004	0.18
13	A	1036	986	42.38
14	A	1017	969	9.21
15	A	755	719	9.01
16	A	623	593	6.22
17	A	526	500	4.22
18	A	431	410	0.86
19	A	381	363	2.70
20	A	274	260	169.85
21	A	12i	12i	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.060	-0.001
S2	-1.360	-0.114	0.000
C3	1.230	-1.104	-0.000
N4	0.877	1.260	-0.000
H5	0.684	-2.039	-0.023
H6	1.888	-1.047	-0.869
H7	1.852	-1.071	0.896
H8	1.875	1.344	-0.001
H9	0.316	2.090	0.002

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6411	1.5076	1.3434	2.1393	2.1428	2.1408	2.0538	2.0304
S2	1.6411		2.7725	2.6253	2.8075	3.4890	3.4695	3.5486	2.7694
C3	1.5076	2.7725		2.3896	1.0830	1.0914	1.0915	2.5311	3.3220
N4	1.3434	2.6253	2.3896		3.3042	2.6643	2.6809	1.0016	1.0022
H5	2.1393	2.8075	1.0830	3.3042		1.7744	1.7735	3.5863	4.1454
H6	2.1428	3.4890	1.0914	2.6643	1.7744		1.7658	2.5438	3.6155
H7	2.1408	3.4695	1.0915	2.6809	1.7735	1.7658		2.5764	3.6268
H8	2.0538	3.5486	2.5311	1.0016	3.5863	2.5438	2.5764		1.7284
H9	2.0304	2.7694	3.3220	1.0022	4.1454	3.6155	3.6268	1.7284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.255	C1	C3	H6	110.031
C1	C3	H7	109.873	C1	N4	H8	121.598
C1	N4	H9	119.188	S2	C1	C3	123.352
S2	C1	N4	122.887	C3	C1	N4	113.761
H5	C3	H6	109.372	H5	C3	H7	109.292
H6	C3	H7	107.979	H8	N4	H9	119.215

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

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

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)