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	hartrees
Energy at 0K	-531.291613
Energy at 298.15K
HF Energy	-530.658453
Nuclear repulsion energy	154.296111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3729	3591
2	A	3597	3463
3	A	3163	3046
4	A	3087	2972
5	A	3021	2909
6	A	1700	1636
7	A	1508	1452
8	A	1506	1450
9	A	1429	1376
10	A	1407	1355
11	A	1349	1298
12	A	1044	1005
13	A	1030	991
14	A	1013	975
15	A	735	707
16	A	599	576
17	A	492	474
18	A	431	415
19	A	380	366
20	A	55	53
21	A	200i	193i

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.059	-0.009
S2	-1.375	-0.116	0.001
C3	1.245	-1.109	0.001
N4	0.884	1.268	-0.002
H5	0.711	-2.043	-0.182
H6	2.020	-0.978	-0.767
H7	1.739	-1.169	0.980
H8	1.888	1.360	0.001
H9	0.322	2.104	0.022

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6594	1.5179	1.3537	2.1537	2.1666	2.1516	2.0722	2.0456
S2	1.6594		2.8012	2.6493	2.8454	3.5856	3.4298	3.5812	2.7938
C3	1.5179	2.8012		2.4045	1.0910	1.0991	1.0992	2.5520	3.3432
N4	1.3537	2.6493	2.4045		3.3207	2.6311	2.7631	1.0080	1.0080
H5	2.1537	2.8454	1.0910	3.3207		1.7862	1.7810	3.6059	4.1703
H6	2.1666	3.5856	1.0991	2.6311	1.7862		1.7805	2.4653	3.6067
H7	2.1516	3.4298	1.0992	2.7631	1.7810	1.7805		2.7163	3.6933
H8	2.0722	3.5812	2.5520	1.0080	3.6059	2.4653	2.7163		1.7344
H9	2.0456	2.7938	3.3432	1.0080	4.1703	3.6067	3.6933	1.7344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.210	C1	C3	H6	110.749
C1	C3	H7	109.555	C1	N4	H8	121.976
C1	N4	H9	119.310	S2	C1	C3	123.614
S2	C1	N4	122.782	C3	C1	N4	113.594
H5	C3	H6	109.286	H5	C3	H7	108.809
H6	C3	H7	108.181	H8	N4	H9	118.700

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD(T)/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: QCISD(T)/6-311G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)