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	hartrees
Energy at 0K	-532.018573
Energy at 298.15K
HF Energy	-531.757765
Nuclear repulsion energy	155.306963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3727	3562	41.16
2	A	3592	3433	53.76
3	A	3193	3052	1.70
4	A	3106	2969	9.88
5	A	3052	2917	17.45
6	A	1649	1576	156.00
7	A	1504	1438	8.61
8	A	1498	1432	10.87
9	A	1417	1354	64.99
10	A	1394	1332	200.17
11	A	1336	1277	32.16
12	A	1046	999	0.13
13	A	1029	984	24.54
14	A	999	955	9.73
15	A	738	705	5.99
16	A	622	594	6.48
17	A	518	495	4.11
18	A	426	407	1.01
19	A	378	362	2.40
20	A	301	288	160.15
21	A	28	26	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.058	-0.002
S2	-1.364	-0.116	0.000
C3	1.234	-1.104	-0.000
N4	0.877	1.263	-0.000
H5	0.689	-2.036	-0.059
H6	1.920	-1.033	-0.844
H7	1.828	-1.095	0.914
H8	1.876	1.357	-0.002
H9	0.308	2.090	0.006

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6519	1.5043	1.3447	2.1352	2.1434	2.1382	2.0588	2.0320
S2	1.6519		2.7796	2.6310	2.8123	3.5129	3.4620	3.5593	2.7680
C3	1.5043	2.7796		2.3931	1.0814	1.0903	1.0903	2.5431	3.3253
N4	1.3447	2.6310	2.3931		3.3046	2.6590	2.7019	1.0037	1.0042
H5	2.1352	2.8123	1.0814	3.3046		1.7713	1.7688	3.5951	4.1444
H6	2.1434	3.5129	1.0903	2.6590	1.7713		1.7620	2.5345	3.6159
H7	2.1382	3.4620	1.0903	2.7019	1.7688	1.7620		2.6181	3.6445
H8	2.0588	3.5593	2.5431	1.0037	3.5951	2.5345	2.6181		1.7311
H9	2.0320	2.7680	3.3253	1.0042	4.1444	3.6159	3.6445	1.7311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.258	C1	C3	H6	110.385
C1	C3	H7	109.965	C1	N4	H8	121.815
C1	N4	H9	119.073	S2	C1	C3	123.375
S2	C1	N4	122.468	C3	C1	N4	114.156
H5	C3	H6	109.301	H5	C3	H7	109.073
H6	C3	H7	107.810	H8	N4	H9	119.111

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)