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	hartrees
Energy at 0K	-529.233248
Energy at 298.15K
HF Energy	-529.087977
Nuclear repulsion energy	154.100497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3645	3645	35.14
2	A	3514	3514	59.86
3	A	3212	3212	1.15
4	A	3125	3125	11.57
5	A	3070	3070	11.65
6	A	1704	1704	119.12
7	A	1576	1576	11.42
8	A	1566	1566	7.95
9	A	1465	1465	12.03
10	A	1412	1412	266.46
11	A	1340	1340	31.91
12	A	1093	1093	2.66
13	A	1064	1064	17.56
14	A	994	994	18.75
15	A	721	721	4.86
16	A	682	682	122.91
17	A	526	526	95.07
18	A	510	510	79.71
19	A	432	432	1.17
20	A	384	384	1.88
21	A	49	49	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.063	0.000
S2	-1.373	-0.114	-0.000
C3	1.240	-1.120	-0.000
N4	0.889	1.273	0.000
H5	0.675	-2.049	0.000
H6	1.879	-1.085	-0.889
H7	1.879	-1.085	0.889
H8	1.898	1.363	-0.000
H9	0.321	2.113	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6594	1.5258	1.3552	2.1495	2.1623	2.1623	2.0781	2.0499
S2	1.6594		2.7997	2.6530	2.8175	3.5082	3.5085	3.5894	2.7977
C3	1.5258	2.7997		2.4184	1.0868	1.0955	1.0955	2.5690	3.3611
N4	1.3552	2.6530	2.4184		3.3283	2.7072	2.7070	1.0138	1.0143
H5	2.1495	2.8175	1.0868	3.3283		1.7802	1.7801	3.6245	4.1768
H6	2.1623	3.5082	1.0955	2.7072	1.7802		1.7777	2.6044	3.6667
H7	2.1623	3.5085	1.0955	2.7070	1.7801	1.7777		2.6040	3.6665
H8	2.0781	3.5894	2.5690	1.0138	3.6245	2.6044	2.6040		1.7470
H9	2.0499	2.7977	3.3611	1.0143	4.1768	3.6667	3.6665	1.7470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.576	C1	C3	H6	110.077
C1	C3	H7	110.078	C1	N4	H8	121.952
C1	N4	H9	119.097	S2	C1	C3	122.988
S2	C1	N4	122.979	C3	C1	N4	114.033
H5	C3	H6	109.316	H5	C3	H7	109.313
H6	C3	H7	108.459	H8	N4	H9	118.950

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULL/3-21G*

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: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)