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	hartrees
Energy at 0K	-531.529077
Energy at 298.15K
HF Energy	-530.699793
Nuclear repulsion energy	156.029325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3740	3740	51.96
2	A	3608	3608	70.69
3	A	3210	3210	0.52
4	A	3141	3141	4.49
5	A	3080	3080	14.20
6	A	1647	1647	181.80
7	A	1511	1511	8.68
8	A	1508	1508	17.42
9	A	1422	1422	113.82
10	A	1407	1407	214.61
11	A	1343	1343	17.50
12	A	1052	1052	0.69
13	A	1034	1034	29.56
14	A	1003	1003	2.68
15	A	760	760	3.84
16	A	612	612	4.64
17	A	526	526	6.33
18	A	427	427	0.60
19	A	383	383	1.60
20	A	316	316	161.69
21	A	46	46	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.056	0.000
S2	-1.357	-0.111	0.000
C3	1.222	-1.101	-0.000
N4	0.878	1.255	-0.000
H5	0.671	-2.032	0.003
H6	1.858	-1.065	-0.883
H7	1.863	-1.062	0.880
H8	1.878	1.339	0.000
H9	0.316	2.087	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6386	1.4968	1.3428	2.1257	2.1329	2.1331	2.0540	2.0310
S2	1.6386		2.7623	2.6195	2.7930	3.4677	3.4703	3.5446	2.7622
C3	1.4968	2.7623		2.3815	1.0814	1.0889	1.0889	2.5268	3.3145
N4	1.3428	2.6195	2.3815		3.2936	2.6691	2.6669	1.0030	1.0038
H5	2.1257	2.7930	1.0814	3.2936		1.7689	1.7690	3.5802	4.1340
H6	2.1329	3.4677	1.0889	2.6691	1.7689		1.7626	2.5612	3.6183
H7	2.1331	3.4703	1.0889	2.6669	1.7690	1.7626		2.5568	3.6169
H8	2.0540	3.5446	2.5268	1.0030	3.5802	2.5612	2.5568		1.7315
H9	2.0310	2.7622	3.3145	1.0038	4.1340	3.6183	3.6169	1.7315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.032	C1	C3	H6	110.156
C1	C3	H7	110.176	C1	N4	H8	121.554
C1	N4	H9	119.177	S2	C1	C3	123.468
S2	C1	N4	122.637	C3	C1	N4	113.896
H5	C3	H6	109.182	H5	C3	H7	109.191
H6	C3	H7	108.064	H8	N4	H9	119.269

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=FULL/daug-cc-pVTZ

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: MP2=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)