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	hartrees
Energy at 0K	-528.457929
Energy at 298.15K
HF Energy	-528.029201
Nuclear repulsion energy	153.977302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3466	39.07
2	A	3519	3336	84.80
3	A	3217	3050	1.16
4	A	3144	2981	11.60
5	A	3082	2921	10.65
6	A	1724	1634	117.55
7	A	1590	1507	10.14
8	A	1586	1503	7.14
9	A	1476	1399	10.67
10	A	1429	1355	307.70
11	A	1344	1274	35.31
12	A	1102	1044	1.27
13	A	1071	1015	26.64
14	A	1006	954	15.27
15	A	729	691	2.79
16	A	671	636	97.75
17	A	517	490	2.41
18	A	499	473	205.76
19	A	439	416	0.87
20	A	391	370	1.78
21	A	67	64	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.065	0.000
S2	-1.372	-0.113	-0.000
C3	1.239	-1.125	-0.000
N4	0.891	1.276	0.000
H5	0.666	-2.052	-0.000
H6	1.877	-1.092	-0.891
H7	1.877	-1.092	0.892
H8	1.901	1.362	0.000
H9	0.325	2.119	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6541	1.5329	1.3598	2.1525	2.1691	2.1691	2.0826	2.0552
S2	1.6541		2.8000	2.6550	2.8124	3.5079	3.5078	3.5906	2.8043
C3	1.5329	2.8000		2.4263	1.0891	1.0967	1.0967	2.5743	3.3707
N4	1.3598	2.6550	2.4263		3.3350	2.7151	2.7152	1.0145	1.0154
H5	2.1525	2.8124	1.0891	3.3350		1.7839	1.7838	3.6306	4.1847
H6	2.1691	3.5079	1.0967	2.7151	1.7839		1.7829	2.6108	3.6757
H7	2.1691	3.5078	1.0967	2.7152	1.7838	1.7829		2.6110	3.6759
H8	2.0826	3.5906	2.5743	1.0145	3.6306	2.6108	2.6110		1.7486
H9	2.0552	2.8043	3.3707	1.0154	4.1847	3.6757	3.6759	1.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.187	C1	C3	H6	110.047
C1	C3	H7	110.046	C1	N4	H8	121.919
C1	N4	H9	119.123	S2	C1	C3	122.898
S2	C1	N4	123.212	C3	C1	N4	113.889
H5	C3	H6	109.396	H5	C3	H7	109.393
H6	C3	H7	108.757	H8	N4	H9	118.958

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)