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	hartrees
Energy at 0K	-531.440677
Energy at 298.15K
HF Energy	-530.696140
Nuclear repulsion energy	155.724730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3781	3781	49.83
2	A	3645	3645	80.77
3	A	3206	3206	1.84
4	A	3130	3130	8.64
5	A	3065	3065	15.66
6	A	1667	1667	190.27
7	A	1510	1510	9.39
8	A	1505	1505	21.53
9	A	1431	1431	55.95
10	A	1410	1410	322.80
11	A	1359	1359	17.74
12	A	1054	1054	1.92
13	A	1032	1032	40.96
14	A	1017	1017	11.28
15	A	757	757	8.49
16	A	624	624	5.44
17	A	524	524	5.04
18	A	432	432	0.79
19	A	382	382	2.58
20	A	277	277	170.73
21	A	42	42	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	0.060	-0.007
S2	-1.359	-0.114	0.000
C3	1.229	-1.104	-0.000
N4	0.876	1.260	0.001
H5	0.693	-2.030	-0.173
H6	1.994	-0.975	-0.767
H7	1.727	-1.157	0.969
H8	1.874	1.344	-0.011
H9	0.316	2.090	0.015

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6395	1.5076	1.3432	2.1388	2.1491	2.1340	2.0533	2.0302
S2	1.6395		2.7703	2.6237	2.8123	3.5455	3.3984	3.5465	2.7683
C3	1.5076	2.7703		2.3899	1.0832	1.0912	1.0913	2.5316	3.3221
N4	1.3432	2.6237	2.3899		3.2991	2.6142	2.7390	1.0014	1.0021
H5	2.1388	2.8123	1.0832	3.2991		1.7769	1.7703	3.5779	4.1413
H6	2.1491	3.5455	1.0912	2.6142	1.7769		1.7663	2.4423	3.5811
H7	2.1340	3.3984	1.0913	2.7390	1.7703	1.7663		2.6903	3.6671
H8	2.0533	3.5465	2.5316	1.0014	3.5779	2.4423	2.6903		1.7280
H9	2.0302	2.7683	3.3221	1.0021	4.1413	3.5811	3.6671	1.7280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.210	C1	C3	H6	110.556
C1	C3	H7	109.358	C1	N4	H8	121.587
C1	N4	H9	119.206	S2	C1	C3	123.301
S2	C1	N4	122.890	C3	C1	N4	113.802
H5	C3	H6	109.611	H5	C3	H7	109.001
H6	C3	H7	108.061	H8	N4	H9	119.206

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)