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	hartrees
Energy at 0K	-531.415873
Energy at 298.15K
HF Energy	-530.698341
Nuclear repulsion energy	155.610144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3752	3573	51.01
2	A	3604	3433	76.36
3	A	3219	3067	1.04
4	A	3147	2998	7.45
5	A	3071	2925	14.19
6	A	1638	1560	180.02
7	A	1503	1431	10.18
8	A	1498	1427	17.96
9	A	1416	1348	205.05
10	A	1398	1331	93.28
11	A	1340	1277	14.15
12	A	1043	993	2.25
13	A	1027	978	27.64
14	A	1003	956	2.51
15	A	756	720	3.33
16	A	621	591	4.81
17	A	514	490	7.59
18	A	425	405	0.70
19	A	378	360	2.08
20	A	252	240	163.15
21	A	43	41	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	0.058	-0.008
S2	-1.360	-0.113	0.000
C3	1.227	-1.105	-0.000
N4	0.880	1.261	-0.002
H5	0.692	-2.028	-0.185
H6	2.001	-0.973	-0.757
H7	1.715	-1.169	0.973
H8	1.880	1.344	-0.002
H9	0.315	2.092	0.021

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6399	1.5052	1.3480	2.1349	2.1485	2.1331	2.0600	2.0346
S2	1.6399		2.7707	2.6267	2.8126	3.5507	3.3935	3.5523	2.7680
C3	1.5052	2.7707		2.3912	1.0829	1.0906	1.0907	2.5348	3.3245
N4	1.3480	2.6267	2.3912		3.2990	2.6112	2.7477	1.0042	1.0051
H5	2.1349	2.8126	1.0829	3.2990		1.7759	1.7686	3.5801	4.1419
H6	2.1485	3.5507	1.0906	2.6112	1.7759		1.7651	2.4404	3.5836
H7	2.1331	3.3935	1.0907	2.7477	1.7686	1.7651		2.7003	3.6740
H8	2.0600	3.5523	2.5348	1.0042	3.5801	2.4404	2.7003		1.7352
H9	2.0346	2.7680	3.3245	1.0051	4.1419	3.5836	3.6740	1.7352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.087	C1	C3	H6	110.704
C1	C3	H7	109.477	C1	N4	H8	121.585
C1	N4	H9	118.965	S2	C1	C3	123.460
S2	C1	N4	122.775	C3	C1	N4	113.758
H5	C3	H6	109.588	H5	C3	H7	108.909
H6	C3	H7	108.029	H8	N4	H9	119.440

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)