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	hartrees
Energy at 0K	-530.903259
Energy at 298.15K
HF Energy	-530.530457
Nuclear repulsion energy	152.091076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3720	3569	32.42
2	A	3587	3442	86.39
3	A	3164	3036	3.05
4	A	3078	2953	17.16
5	A	3017	2894	19.76
6	A	1737	1667	157.60
7	A	1541	1479	11.07
8	A	1539	1477	11.33
9	A	1468	1409	14.30
10	A	1432	1374	386.35
11	A	1381	1325	63.31
12	A	1085	1041	0.62
13	A	1065	1021	20.77
14	A	1013	972	50.94
15	A	711	682	20.59
16	A	686	659	203.98
17	A	529	508	76.22
18	A	506	486	72.76
19	A	436	419	1.29
20	A	386	370	2.51
21	A	31	30	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.304	0.063	0.000
S2	-1.404	-0.107	-0.000
C3	1.248	-1.131	-0.000
N4	0.915	1.274	0.000
H5	0.672	-2.062	0.012
H6	1.886	-1.117	-0.902
H7	1.904	-1.104	0.888
H8	1.923	1.369	-0.001
H9	0.355	2.116	-0.001

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.7162	1.5227	1.3565	2.1570	2.1701	2.1706	2.0804	2.0540
S2	1.7162		2.8431	2.6993	2.8515	3.5575	3.5673	3.6398	2.8350
C3	1.5227	2.8431		2.4281	1.0952	1.1043	1.1043	2.5898	3.3683
N4	1.3565	2.6993	2.4281		3.3451	2.7333	2.7243	1.0122	1.0119
H5	2.1570	2.8515	1.0952	3.3451		1.7897	1.7899	3.6524	4.1907
H6	2.1701	3.5575	1.1043	2.7333	1.7897		1.7899	2.6443	3.6890
H7	2.1706	3.5673	1.1043	2.7243	1.7899	1.7899		2.6283	3.6829
H8	2.0804	3.6398	2.5898	1.0122	3.6524	2.6443	2.6283		1.7372
H9	2.0540	2.8350	3.3683	1.0119	4.1907	3.6890	3.6829	1.7372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.885	C1	C3	H6	110.377
C1	C3	H7	110.416	C1	N4	H8	122.193
C1	N4	H9	119.565	S2	C1	C3	122.649
S2	C1	N4	122.489	C3	C1	N4	114.862
H5	C3	H6	108.919	H5	C3	H7	108.932
H6	C3	H7	108.269	H8	N4	H9	118.243

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCD/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: CCD/6-31G

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)