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	hartrees
Energy at 0K	-528.299408
Energy at 298.15K
HF Energy	-527.927818
Nuclear repulsion energy	152.422013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3540	35.93
2	A	3516	3419	94.53
3	A	3174	3086	1.37
4	A	3088	3002	12.96
5	A	3035	2951	12.96
6	A	1732	1684	140.50
7	A	1570	1527	10.57
8	A	1564	1520	10.49
9	A	1470	1429	11.46
10	A	1425	1386	376.59
11	A	1362	1324	37.96
12	A	1094	1064	1.57
13	A	1072	1043	22.88
14	A	982	954	49.68
15	A	707	687	162.77
16	A	694	675	19.51
17	A	558	543	107.72
18	A	513	498	39.70
19	A	435	423	1.81
20	A	378	368	2.82
21	A	62	60	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.304	0.068	0.000
S2	-1.401	-0.111	-0.000
C3	1.254	-1.126	-0.000
N4	0.906	1.271	0.000
H5	0.676	-2.053	0.001
H6	1.895	-1.097	-0.894
H7	1.896	-1.097	0.893
H8	1.917	1.367	-0.000
H9	0.338	2.113	-0.000

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.7143	1.5264	1.3451	2.1539	2.1658	2.1659	2.0712	2.0445
S2	1.7143		2.8422	2.6898	2.8434	3.5548	3.5554	3.6326	2.8232
C3	1.5264	2.8422		2.4225	1.0919	1.1006	1.1006	2.5803	3.3659
N4	1.3451	2.6898	2.4225		3.3320	2.7179	2.7173	1.0153	1.0155
H5	2.1539	2.8434	1.0919	3.3320		1.7887	1.7887	3.6384	4.1793
H6	2.1658	3.5548	1.1006	2.7179	1.7887		1.7870	2.6219	3.6780
H7	2.1659	3.5554	1.1006	2.7173	1.7887	1.7870		2.6209	3.6777
H8	2.0712	3.6326	2.5803	1.0153	3.6384	2.6219	2.6209		1.7461
H9	2.0445	2.8232	3.3659	1.0155	4.1793	3.6780	3.6777	1.7461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.576	C1	C3	H6	110.007
C1	C3	H7	110.010	C1	N4	H8	122.048
C1	N4	H9	119.358	S2	C1	C3	122.470
S2	C1	N4	122.629	C3	C1	N4	114.900
H5	C3	H6	109.337	H5	C3	H7	109.336
H6	C3	H7	108.553	H8	N4	H9	118.593

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: CCD/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: CCD/3-21G

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)