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	hartrees
Energy at 0K	-528.299891
Energy at 298.15K
HF Energy	-527.928197
Nuclear repulsion energy	152.621540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3671	3671	38.54
2	A	3548	3548	93.78
3	A	3206	3206	1.19
4	A	3119	3119	12.24
5	A	3067	3067	11.98
6	A	1744	1744	143.42
7	A	1582	1582	11.11
8	A	1575	1575	9.88
9	A	1481	1481	12.23
10	A	1436	1436	362.45
11	A	1370	1370	38.36
12	A	1101	1101	1.55
13	A	1080	1080	21.90
14	A	989	989	45.24
15	A	711	711	165.74
16	A	699	699	18.49
17	A	562	562	107.00
18	A	515	515	39.31
19	A	437	437	1.89
20	A	379	379	2.81
21	A	63	63	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.305	0.068	-0.000
S2	-1.399	-0.111	0.000
C3	1.252	-1.125	0.000
N4	0.906	1.269	-0.000
H5	0.674	-2.049	-0.000
H6	1.892	-1.096	-0.891
H7	1.892	-1.096	0.892
H8	1.915	1.365	-0.000
H9	0.338	2.109	0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.7133	1.5235	1.3437	2.1490	2.1610	2.1610	2.0677	2.0413
S2	1.7133		2.8386	2.6869	2.8385	3.5497	3.5496	3.6278	2.8189
C3	1.5235	2.8386		2.4196	1.0894	1.0981	1.0981	2.5773	3.3607
N4	1.3437	2.6869	2.4196		3.3267	2.7134	2.7135	1.0132	1.0133
H5	2.1490	2.8385	1.0894	3.3267		1.7851	1.7851	3.6326	4.1715
H6	2.1610	3.5497	1.0981	2.7134	1.7851		1.7829	2.6176	3.6715
H7	2.1610	3.5496	1.0981	2.7135	1.7851	1.7829		2.6179	3.6716
H8	2.0677	3.6278	2.5773	1.0132	3.6326	2.6176	2.6179		1.7430
H9	2.0413	2.8189	3.3607	1.0133	4.1715	3.6715	3.6716	1.7430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.546	C1	C3	H6	109.981
C1	C3	H7	109.980	C1	N4	H8	122.011
C1	N4	H9	119.342	S2	C1	C3	122.460
S2	C1	N4	122.573	C3	C1	N4	114.967
H5	C3	H6	109.382	H5	C3	H7	109.382
H6	C3	H7	108.549	H8	N4	H9	118.647

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP3=FULL/3-21G

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: MP3=FULL/3-21G

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)