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	hartrees
Energy at 0K	-531.878549
Energy at 298.15K
HF Energy	-531.680778
Nuclear repulsion energy	154.770213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3763	3763	41.62
2	A	3621	3621	61.76
3	A	3225	3225	2.42
4	A	3151	3151	13.65
5	A	3082	3082	16.43
6	A	1669	1669	170.07
7	A	1527	1527	9.67
8	A	1515	1515	11.29
9	A	1437	1437	44.86
10	A	1418	1418	200.19
11	A	1347	1347	43.61
12	A	1058	1058	1.75
13	A	1035	1035	16.62
14	A	1006	1006	14.57
15	A	744	744	6.71
16	A	630	630	14.72
17	A	507	507	6.11
18	A	434	434	1.12
19	A	380	380	2.36
20	A	304	304	203.00
21	A	52	52	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.060	-0.013
S2	-1.369	-0.116	0.001
C3	1.239	-1.107	0.000
N4	0.880	1.267	-0.000
H5	0.745	-1.999	-0.370
H6	2.126	-0.905	-0.606
H7	1.565	-1.296	1.026
H8	1.882	1.365	-0.009
H9	0.310	2.097	0.028

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6582	1.5104	1.3483	2.1412	2.1653	2.1374	2.0662	2.0378
S2	1.6582		2.7896	2.6402	2.8550	3.6332	3.3240	3.5721	2.7779
C3	1.5104	2.7896		2.4012	1.0854	1.0928	1.0927	2.5544	3.3362
N4	1.3483	2.6402	2.4012		3.2904	2.5763	2.8444	1.0065	1.0072
H5	2.1412	2.8550	1.0854	3.2904		1.7776	1.7657	3.5699	4.1388
H6	2.1653	3.6332	1.0928	2.5763	1.7776		1.7692	2.3601	3.5652
H7	2.1374	3.3240	1.0927	2.8444	1.7657	1.7692		2.8725	3.7526
H8	2.0662	3.5721	2.5544	1.0065	3.5699	2.3601	2.8725		1.7342
H9	2.0378	2.7779	3.3362	1.0072	4.1388	3.5652	3.7526	1.7342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.069	C1	C3	H6	111.551
C1	C3	H7	109.339	C1	N4	H8	122.000
C1	N4	H9	119.088	S2	C1	C3	123.308
S2	C1	N4	122.511	C3	C1	N4	114.157
H5	C3	H6	109.390	H5	C3	H7	108.321
H6	C3	H7	108.093	H8	N4	H9	118.910

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULL/6-31G**

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: B2PLYP=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)