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	hartrees
Energy at 0K	-531.258099
Energy at 298.15K
HF Energy	-530.640141
Nuclear repulsion energy	153.926839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3754	3601	43.80
2	A	3609	3462	72.50
3	A	3208	3077	2.37
4	A	3131	3004	13.48
5	A	3058	2934	19.28
6	A	1645	1578	182.03
7	A	1486	1425	8.28
8	A	1484	1424	22.25
9	A	1425	1367	134.42
10	A	1400	1343	123.79
11	A	1341	1287	22.95
12	A	1034	992	0.28
13	A	1027	985	30.70
14	A	1006	965	3.03
15	A	738	708	6.73
16	A	614	590	6.62
17	A	507	486	5.49
18	A	426	408	0.86
19	A	377	362	2.55
20	A	96	92	166.64
21	A	33	32	10.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.059	-0.001
S2	-1.378	-0.117	0.000
C3	1.248	-1.110	0.000
N4	0.885	1.270	-0.006
H5	0.699	-2.061	-0.023
H6	1.914	-1.050	-0.881
H7	1.879	-1.075	0.908
H8	1.893	1.360	0.020
H9	0.314	2.107	0.013

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6644	1.5197	1.3547	2.1620	2.1648	2.1633	2.0747	2.0484
S2	1.6644		2.8073	2.6541	2.8450	3.5337	3.5141	3.5893	2.7947
C3	1.5197	2.8073		2.4075	1.0982	1.1064	1.1065	2.5528	3.3501
N4	1.3547	2.6541	2.4075		3.3362	2.6853	2.7061	1.0128	1.0136
H5	2.1620	2.8450	1.0982	3.3362		1.7984	1.7974	3.6235	4.1862
H6	2.1648	3.5337	1.1064	2.6853	1.7984		1.7901	2.5736	3.6514
H7	2.1633	3.5141	1.1065	2.7061	1.7974	1.7901		2.5918	3.6576
H8	2.0747	3.5893	2.5528	1.0128	3.6235	2.5736	2.5918		1.7474
H9	2.0484	2.7947	3.3501	1.0136	4.1862	3.6514	3.6576	1.7474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.310	C1	C3	H6	110.047
C1	C3	H7	109.918	C1	N4	H8	121.728
C1	N4	H9	119.043	S2	C1	C3	123.621
S2	C1	N4	122.739	C3	C1	N4	113.640
H5	C3	H6	109.321	H5	C3	H7	109.221
H6	C3	H7	107.982	H8	N4	H9	119.153

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)