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	hartrees
Energy at 0K	-531.359546
Energy at 298.15K
HF Energy	-530.676860
Nuclear repulsion energy	155.199117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3565	43.53
2	A	3601	3431	69.53
3	A	3224	3071	2.12
4	A	3161	3012	10.89
5	A	3083	2937	15.50
6	A	1658	1579	156.68
7	A	1505	1434	13.42
8	A	1500	1429	13.23
9	A	1428	1360	22.61
10	A	1408	1341	297.63
11	A	1350	1286	17.53
12	A	1056	1007	5.59
13	A	1030	982	31.88
14	A	1019	970	3.44
15	A	759	723	1.96
16	A	603	575	18.77
17	A	485	462	16.39
18	A	436	415	3.71
19	A	385	367	3.75
20	A	332	316	213.44
21	A	79	75	3.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.057	-0.011
S2	-1.364	-0.111	0.003
C3	1.229	-1.107	0.001
N4	0.887	1.263	-0.035
H5	0.733	-1.999	-0.367
H6	2.106	-0.902	-0.614
H7	1.561	-1.296	1.023
H8	1.880	1.338	0.118
H9	0.323	2.087	0.096

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6466	1.5057	1.3534	2.1365	2.1543	2.1342	2.0584	2.0336
S2	1.6466		2.7776	2.6379	2.8462	3.6124	3.3167	3.5547	2.7724
C3	1.5057	2.7776		2.3951	1.0842	1.0908	1.0913	2.5334	3.3217
N4	1.3534	2.6379	2.3951		3.2825	2.5513	2.8496	1.0069	1.0074
H5	2.1365	2.8462	1.0842	3.2825		1.7743	1.7639	3.5616	4.1326
H6	2.1543	3.6124	1.0908	2.5513	1.7743		1.7694	2.3676	3.5525
H7	2.1342	3.3167	1.0913	2.8496	1.7639	1.7694		2.8032	3.7197
H8	2.0584	3.5547	2.5334	1.0069	3.5616	2.3676	2.8032		1.7278
H9	2.0336	2.7724	3.3217	1.0074	4.1326	3.5525	3.7197	1.7278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.102	C1	C3	H6	111.129
C1	C3	H7	109.500	C1	N4	H8	120.701
C1	N4	H9	118.201	S2	C1	C3	123.494
S2	C1	N4	122.819	C3	C1	N4	113.687
H5	C3	H6	109.334	H5	C3	H7	108.350
H6	C3	H7	108.364	H8	N4	H9	118.140

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=FULL/TZVP

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=FULL/TZVP

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)