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	hartrees
Energy at 0K	-531.161145
Energy at 298.15K
HF Energy	-530.641339
Nuclear repulsion energy	155.068871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3857	3564	57.84
2	A	3713	3431	86.80
3	A	3295	3045	1.64
4	A	3215	2971	11.48
5	A	3140	2902	16.52
6	A	1697	1568	214.89
7	A	1526	1410	9.21
8	A	1524	1408	35.94
9	A	1471	1359	135.21
10	A	1443	1334	187.27
11	A	1386	1281	24.72
12	A	1068	987	0.16
13	A	1058	978	40.58
14	A	1040	961	5.28
15	A	769	711	11.37
16	A	642	593	9.08
17	A	533	493	3.72
18	A	442	409	1.01
19	A	391	361	3.10
20	A	250	231	185.47
21	A	27	25	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.061	-0.001
S2	-1.367	-0.117	0.000
C3	1.239	-1.103	-0.000
N4	0.876	1.262	-0.002
H5	0.694	-2.048	-0.017
H6	1.897	-1.045	-0.878
H7	1.869	-1.064	0.899
H8	1.877	1.353	0.007
H9	0.310	2.094	0.006

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6513	1.5114	1.3433	2.1504	2.1504	2.1487	2.0582	2.0334
S2	1.6513		2.7856	2.6330	2.8240	3.5047	3.4893	3.5615	2.7751
C3	1.5114	2.7856		2.3933	1.0905	1.0988	1.0989	2.5381	3.3297
N4	1.3433	2.6330	2.3933		3.3154	2.6712	2.6853	1.0053	1.0062
H5	2.1504	2.8240	1.0905	3.3154		1.7866	1.7858	3.6011	4.1600
H6	2.1504	3.5047	1.0988	2.6712	1.7866		1.7774	2.5568	3.6273
H7	2.1487	3.4893	1.0989	2.6853	1.7858	1.7774		2.5764	3.6336
H8	2.0582	3.5615	2.5381	1.0053	3.6011	2.5568	2.5764		1.7337
H9	2.0334	2.7751	3.3297	1.0062	4.1600	3.6273	3.6336	1.7337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.432	C1	C3	H6	109.937
C1	C3	H7	109.793	C1	N4	H8	121.753
C1	N4	H9	119.180	S2	C1	C3	123.411
S2	C1	N4	122.775	C3	C1	N4	113.813
H5	C3	H6	109.386	H5	C3	H7	109.301
H6	C3	H7	107.948	H8	N4	H9	119.056

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CID/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: CID/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)