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	hartrees
Energy at 0K	-532.187344
Energy at 298.15K
HF Energy	-532.187344
Nuclear repulsion energy	154.390265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3712	3574	40.22
2	A	3574	3441	48.13
3	A	3161	3043	3.12
4	A	3106	2991	15.13
5	A	3041	2928	21.46
6	A	1646	1584	172.39
7	A	1499	1443	11.74
8	A	1476	1421	12.29
9	A	1409	1356	23.70
10	A	1384	1333	252.17
11	A	1325	1275	60.20
12	A	1042	1003	1.15
13	A	1018	980	11.46
14	A	983	946	32.49
15	A	737	710	8.39
16	A	623	599	10.88
17	A	502	484	12.22
18	A	437	421	1.19
19	A	375	361	3.00
20	A	359	346	183.84
21	A	44	43	0.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.285	0.062	-0.012
S2	-1.369	-0.116	0.000
C3	1.238	-1.112	-0.001
N4	0.881	1.274	-0.000
H5	0.838	-1.924	-0.608
H6	2.237	-0.846	-0.365
H7	1.334	-1.485	1.026
H8	1.885	1.380	-0.008
H9	0.307	2.106	0.028

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6634	1.5130	1.3506	2.1460	2.1820	2.1378	2.0725	2.0438
S2	1.6634		2.7912	2.6445	2.9168	3.6974	3.1981	3.5810	2.7828
C3	1.5130	2.7912		2.4132	1.0903	1.0959	1.0958	2.5742	3.3501
N4	1.3506	2.6445	2.4132		3.2556	2.5434	2.9784	1.0097	1.0105
H5	2.1460	2.9168	1.0903	3.2556		1.7832	1.7631	3.5169	4.1137
H6	2.1820	3.6974	1.0959	2.5434	1.7832		1.7770	2.2814	3.5487
H7	2.1378	3.1981	1.0958	2.9784	1.7631	1.7770		3.0946	3.8652
H8	2.0725	3.5810	2.5742	1.0097	3.5169	2.2814	3.0946		1.7374
H9	2.0438	2.7828	3.3501	1.0105	4.1137	3.5487	3.8652	1.7374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.986	C1	C3	H6	112.539
C1	C3	H7	109.015	C1	N4	H8	122.152
C1	N4	H9	119.207	S2	C1	C3	122.918
S2	C1	N4	122.322	C3	C1	N4	114.742
H5	C3	H6	109.301	H5	C3	H7	107.512
H6	C3	H7	108.347	H8	N4	H9	118.636

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B3LYPultrafine/6-31+G**

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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Number	Element	Mulliken
1	C	0.010
2	S	-0.192
3	C	-0.535
4	N	-0.427
5	H	0.193
6	H	0.136
7	H	0.190
8	H	0.307
9	H	0.319

	x	y	z	Total
	4.503	1.362	0.072	4.705
CHELPG
AIM
ESP

	x	y	z
x	10.824	0.757	0.023
y	0.757	8.055	-0.043
z	0.023	-0.043	5.466

<r²>	109.550
(<r²>)^1/2	10.467

All results from a given calculation for CH3CSNH2 (Ethanethioamide)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)