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	hartrees
Energy at 0K	-531.448219
Energy at 298.15K
HF Energy	-530.696001
Nuclear repulsion energy	155.366225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3766	3766	46.49
2	A	3629	3629	72.85
3	A	3195	3195	2.17
4	A	3120	3120	9.72
5	A	3058	3058	16.40
6	A	1659	1659	170.89
7	A	1509	1509	9.25
8	A	1500	1500	14.13
9	A	1428	1428	45.42
10	A	1401	1401	271.57
11	A	1349	1349	26.47
12	A	1051	1051	1.73
13	A	1028	1028	30.69
14	A	1009	1009	14.79
15	A	743	743	8.03
16	A	622	622	5.30
17	A	518	518	4.74
18	A	428	428	0.82
19	A	377	377	2.47
20	A	259	259	168.91
21	A	47	47	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.060	-0.008
S2	-1.363	-0.115	0.000
C3	1.233	-1.105	-0.000
N4	0.878	1.262	0.002
H5	0.704	-2.025	-0.223
H6	2.031	-0.955	-0.729
H7	1.687	-1.190	0.989
H8	1.877	1.349	-0.015
H9	0.314	2.091	0.017

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6474	1.5083	1.3451	2.1395	2.1520	2.1331	2.0557	2.0318
S2	1.6474		2.7782	2.6304	2.8235	3.5714	3.3818	3.5548	2.7711
C3	1.5083	2.7782		2.3939	1.0839	1.0916	1.0916	2.5373	3.3260
N4	1.3451	2.6304	2.3939		3.2995	2.6031	2.7641	1.0022	1.0029
H5	2.1395	2.8235	1.0839	3.2995		1.7783	1.7700	3.5778	4.1417
H6	2.1520	3.5714	1.0916	2.6031	1.7783		1.7678	2.4163	3.5750
H7	2.1331	3.3818	1.0916	2.7641	1.7700	1.7678		2.7363	3.6869
H8	2.0557	3.5548	2.5373	1.0022	3.5778	2.4163	2.7363		1.7303
H9	2.0318	2.7711	3.3260	1.0029	4.1417	3.5750	3.6869	1.7303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.178	C1	C3	H6	110.713
C1	C3	H7	109.210	C1	N4	H8	121.585
C1	N4	H9	119.121	S2	C1	C3	123.318
S2	C1	N4	122.725	C3	C1	N4	113.946
H5	C3	H6	109.657	H5	C3	H7	108.902
H6	C3	H7	108.132	H8	N4	H9	119.291

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)