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	hartrees
Energy at 0K	-531.406837
Energy at 298.15K
HF Energy	-530.658861
Nuclear repulsion energy	155.205345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3763	3564	37.79
2	A	3625	3433	73.83
3	A	3226	3055	1.64
4	A	3155	2988	10.86
5	A	3078	2915	14.88
6	A	1708	1618	165.02
7	A	1526	1445	22.72
8	A	1524	1443	14.05
9	A	1441	1365	145.45
10	A	1429	1353	213.16
11	A	1368	1295	17.56
12	A	1057	1001	11.85
13	A	1045	989	21.76
14	A	1031	977	0.84
15	A	761	721	3.53
16	A	608	576	14.51
17	A	505	479	21.61
18	A	438	415	0.84
19	A	389	369	0.58
20	A	235	223	251.16
21	A	54	51	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.270	0.058	-0.007
S2	-1.364	-0.113	0.002
C3	1.232	-1.105	0.000
N4	0.883	1.262	-0.026
H5	0.701	-2.036	-0.175
H6	1.999	-0.978	-0.770
H7	1.733	-1.165	0.972
H8	1.879	1.344	0.093
H9	0.322	2.093	0.065

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6433	1.5096	1.3516	2.1446	2.1552	2.1431	2.0623	2.0369
S2	1.6433		2.7796	2.6353	2.8272	3.5575	3.4115	3.5570	2.7778
C3	1.5096	2.7796		2.3930	1.0864	1.0939	1.0945	2.5346	3.3257
N4	1.3516	2.6353	2.3930		3.3068	2.6108	2.7583	1.0062	1.0066
H5	2.1446	2.8272	1.0864	3.3068		1.7775	1.7717	3.5896	4.1534
H6	2.1552	3.5575	1.0939	2.6108	1.7775		1.7716	2.4797	3.5970
H7	2.1431	3.4115	1.0945	2.7583	1.7717	1.7716		2.6624	3.6642
H8	2.0623	3.5570	2.5346	1.0062	3.5896	2.4797	2.6624		1.7281
H9	2.0369	2.7778	3.3257	1.0066	4.1534	3.5970	3.6642	1.7281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.339	C1	C3	H6	110.731
C1	C3	H7	109.740	C1	N4	H8	121.316
C1	N4	H9	118.755	S2	C1	C3	123.619
S2	C1	N4	122.977	C3	C1	N4	113.404
H5	C3	H6	109.224	H5	C3	H7	108.654
H6	C3	H7	108.098	H8	N4	H9	118.303

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)