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	hartrees
Energy at 0K	-531.449366
Energy at 298.15K
HF Energy	-530.696731
Nuclear repulsion energy	155.177469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3763	3596	45.07
2	A	3626	3465	73.77
3	A	3194	3052	2.10
4	A	3118	2979	10.43
5	A	3054	2918	16.23
6	A	1660	1587	169.46
7	A	1509	1442	8.76
8	A	1502	1435	14.95
9	A	1428	1364	71.85
10	A	1403	1341	237.62
11	A	1350	1290	26.75
12	A	1052	1006	1.15
13	A	1030	985	30.04
14	A	1009	964	13.89
15	A	741	708	8.27
16	A	622	594	6.27
17	A	517	494	3.93
18	A	426	407	0.92
19	A	376	359	2.68
20	A	260	249	168.10
21	A	41	39	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.060	-0.007
S2	-1.366	-0.114	0.000
C3	1.235	-1.105	-0.000
N4	0.880	1.262	-0.002
H5	0.701	-2.030	-0.185
H6	2.008	-0.971	-0.759
H7	1.723	-1.167	0.975
H8	1.879	1.348	-0.001
H9	0.316	2.091	0.020

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6528	1.5081	1.3450	2.1399	2.1503	2.1348	2.0557	2.0316
S2	1.6528		2.7833	2.6347	2.8244	3.5635	3.4055	3.5597	2.7735
C3	1.5081	2.7833		2.3938	1.0838	1.0918	1.0919	2.5369	3.3258
N4	1.3450	2.6347	2.3938		3.3023	2.6139	2.7497	1.0024	1.0031
H5	2.1399	2.8244	1.0838	3.3023		1.7778	1.7708	3.5828	4.1441
H6	2.1503	3.5635	1.0918	2.6139	1.7778		1.7677	2.4433	3.5843
H7	2.1348	3.4055	1.0919	2.7497	1.7708	1.7677		2.7022	3.6744
H8	2.0557	3.5597	2.5369	1.0024	3.5828	2.4433	2.7022		1.7308
H9	2.0316	2.7735	3.3258	1.0031	4.1441	3.5843	3.6744	1.7308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.227	C1	C3	H6	110.580
C1	C3	H7	109.341	C1	N4	H8	121.574
C1	N4	H9	119.095	S2	C1	C3	123.356
S2	C1	N4	122.686	C3	C1	N4	113.952
H5	C3	H6	109.597	H5	C3	H7	108.953
H6	C3	H7	108.096	H8	N4	H9	119.322

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)