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	hartrees
Energy at 0K	-532.181494
Energy at 298.15K
HF Energy	-532.181494
Nuclear repulsion energy	153.897986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3583	3568	24.24
2	A	3453	3439	20.24
3	A	3088	3075	3.01
4	A	2989	2977	14.04
5	A	2946	2934	23.41
6	A	1589	1582	127.49
7	A	1455	1449	7.63
8	A	1447	1441	7.24
9	A	1364	1358	17.45
10	A	1331	1325	204.07
11	A	1274	1269	36.28
12	A	1009	1005	0.23
13	A	992	988	18.99
14	A	951	947	15.07
15	A	704	701	5.41
16	A	599	596	4.99
17	A	495	493	5.55
18	A	415	413	1.38
19	A	368	366	2.23
20	A	272	271	144.26
21	A	53	53	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.059	-0.004
S2	-1.375	-0.121	0.000
C3	1.251	-1.110	-0.000
N4	0.876	1.279	0.000
H5	0.712	-2.050	-0.119
H6	1.987	-1.012	-0.811
H7	1.805	-1.138	0.949
H8	1.884	1.387	-0.004
H9	0.296	2.110	0.010

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6650	1.5190	1.3583	2.1549	2.1706	2.1604	2.0830	2.0520
S2	1.6650		2.8058	2.6513	2.8437	3.5718	3.4710	3.5916	2.7884
C3	1.5190	2.8058		2.4182	1.0899	1.0997	1.0998	2.5764	3.3588
N4	1.3583	2.6513	2.4182		3.3349	2.6726	2.7582	1.0138	1.0136
H5	2.1549	2.8437	1.0899	3.3349		1.7842	1.7793	3.6334	4.1827
H6	2.1706	3.5718	1.0997	2.6726	1.7842		1.7741	2.5337	3.6448
H7	2.1604	3.4710	1.0998	2.7582	1.7793	1.7741		2.7010	3.7030
H8	2.0830	3.5916	2.5764	1.0138	3.6334	2.5337	2.7010		1.7446
H9	2.0520	2.7884	3.3588	1.0136	4.1827	3.6448	3.7030	1.7446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.292	C1	C3	H6	110.953
C1	C3	H7	110.141	C1	N4	H8	122.159
C1	N4	H9	119.084	S2	C1	C3	123.512
S2	C1	N4	122.228	C3	C1	N4	114.257
H5	C3	H6	109.148	H5	C3	H7	108.700
H6	C3	H7	107.535	H8	N4	H9	118.756

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.082
2	S	-0.283
3	C	-0.251
4	N	-0.151
5	H	0.120
6	H	0.090
7	H	0.103
8	H	0.140
9	H	0.148

	x	y	z	Total
	4.134	1.459	0.026	4.384
CHELPG
AIM
ESP

	x	y	z
x	10.939	0.604	-0.006
y	0.604	8.054	0.004
z	-0.006	0.004	5.042

<r²>	109.990
(<r²>)^1/2	10.488

All results from a given calculation for CH3CSNH2 (Ethanethioamide)

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

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)