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	hartrees
Energy at 0K	-531.230726
Energy at 298.15K
HF Energy	-530.640458
Nuclear repulsion energy	154.487046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3760	3574	51.33
2	A	3605	3426	78.51
3	A	3244	3083	1.14
4	A	3171	3014	9.51
5	A	3084	2931	16.47
6	A	1635	1554	201.24
7	A	1487	1414	31.65
8	A	1485	1412	9.51
9	A	1428	1357	189.76
10	A	1398	1328	53.58
11	A	1340	1274	10.99
12	A	1033	982	22.15
13	A	1030	979	0.03
14	A	1002	952	1.45
15	A	757	720	2.94
16	A	619	589	5.60
17	A	510	484	9.02
18	A	428	407	0.70
19	A	381	362	2.10
20	A	111	106	165.53
21	A	37	35	6.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.057	0.000
S2	-1.371	-0.115	-0.000
C3	1.240	-1.108	-0.000
N4	0.885	1.266	-0.000
H5	0.691	-2.056	0.000
H6	1.887	-1.063	-0.892
H7	1.888	-1.063	0.892
H8	1.893	1.352	0.000
H9	0.316	2.105	0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6525	1.5145	1.3550	2.1548	2.1589	2.1589	2.0747	2.0480
S2	1.6525		2.7934	2.6449	2.8326	3.5092	3.5094	3.5790	2.7879
C3	1.5145	2.7934		2.4005	1.0954	1.1034	1.1034	2.5457	3.3431
N4	1.3550	2.6449	2.4005		3.3280	2.6886	2.6884	1.0124	1.0135
H5	2.1548	2.8326	1.0954	3.3280		1.7924	1.7924	3.6143	4.1781
H6	2.1589	3.5092	1.1034	2.6886	1.7924		1.7841	2.5754	3.6477
H7	2.1589	3.5094	1.1034	2.6884	1.7924	1.7841		2.5749	3.6474
H8	2.0747	3.5790	2.5457	1.0124	3.6143	2.5754	2.5749		1.7480
H9	2.0480	2.7879	3.3431	1.0135	4.1781	3.6477	3.6474	1.7480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.269	C1	C3	H6	110.116
C1	C3	H7	110.114	C1	N4	H8	121.749
C1	N4	H9	118.987	S2	C1	C3	123.717
S2	C1	N4	122.842	C3	C1	N4	113.441
H5	C3	H6	109.207	H5	C3	H7	109.202
H6	C3	H7	107.888	H8	N4	H9	119.265

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)