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	hartrees
Energy at 0K	-530.882893
Energy at 298.15K
HF Energy	-530.530352
Nuclear repulsion energy	152.104890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3724	3538	36.42
2	A	3581	3402	84.68
3	A	3206	3046	2.47
4	A	3126	2970	16.05
5	A	3055	2903	18.65
6	A	1732	1645	136.77
7	A	1559	1482	7.47
8	A	1556	1479	11.55
9	A	1478	1404	13.58
10	A	1429	1358	347.79
11	A	1377	1308	39.99
12	A	1092	1038	0.29
13	A	1068	1015	25.16
14	A	1022	971	27.80
15	A	719	683	8.89
16	A	666	633	170.64
17	A	513	487	5.91
18	A	499	474	169.92
19	A	436	414	0.93
20	A	388	369	1.80
21	A	36	34	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.302	0.059	0.000
S2	-1.403	-0.104	0.000
C3	1.244	-1.134	-0.000
N4	0.920	1.275	-0.000
H5	0.667	-2.061	0.000
H6	1.889	-1.116	-0.892
H7	1.889	-1.116	0.892
H8	1.928	1.366	0.000
H9	0.359	2.118	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.7131	1.5200	1.3635	2.1514	2.1667	2.1667	2.0858	2.0597
S2	1.7131		2.8404	2.7015	2.8487	3.5577	3.5578	3.6412	2.8366
C3	1.5200	2.8404		2.4303	1.0921	1.1008	1.1008	2.5912	3.3700
N4	1.3635	2.7015	2.4303		3.3454	2.7296	2.7294	1.0124	1.0125
H5	2.1514	2.8487	1.0921	3.3454		1.7838	1.7838	3.6512	4.1904
H6	2.1667	3.5577	1.1008	2.7296	1.7838		1.7837	2.6373	3.6870
H7	2.1667	3.5578	1.1008	2.7294	1.7838	1.7837		2.6370	3.6869
H8	2.0858	3.6412	2.5912	1.0124	3.6512	2.6373	2.6370		1.7399
H9	2.0597	2.8366	3.3700	1.0125	4.1904	3.6870	3.6869	1.7399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.814	C1	C3	H6	110.510
C1	C3	H7	110.511	C1	N4	H8	122.079
C1	N4	H9	119.462	S2	C1	C3	122.819
S2	C1	N4	122.415	C3	C1	N4	114.766
H5	C3	H6	108.862	H5	C3	H7	108.862
H6	C3	H7	108.235	H8	N4	H9	118.460

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)