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	hartrees
Energy at 0K	-531.308721
Energy at 298.15K
HF Energy	-530.669469
Nuclear repulsion energy	154.621125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3753	3581	35.15
2	A	3624	3458	72.02
3	A	3191	3045	3.26
4	A	3119	2976	14.81
5	A	3054	2913	17.66
6	A	1670	1593	153.85
7	A	1507	1438	9.57
8	A	1504	1435	15.64
9	A	1431	1366	41.80
10	A	1409	1344	289.05
11	A	1353	1291	22.95
12	A	1050	1001	7.13
13	A	1032	985	28.63
14	A	1020	973	10.07
15	A	742	708	7.04
16	A	595	568	14.47
17	A	497	474	10.81
18	A	433	413	0.70
19	A	381	364	0.99
20	A	246	235	232.89
21	A	54	51	1.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.060	-0.009
S2	-1.371	-0.114	0.003
C3	1.239	-1.109	0.001
N4	0.887	1.266	-0.030
H5	0.714	-2.036	-0.224
H6	2.038	-0.952	-0.735
H7	1.697	-1.192	0.995
H8	1.882	1.343	0.106
H9	0.325	2.095	0.081

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6536	1.5161	1.3536	2.1528	2.1596	2.1453	2.0607	2.0375
S2	1.6536		2.7935	2.6464	2.8453	3.5871	3.3999	3.5656	2.7854
C3	1.5161	2.7935		2.4013	1.0894	1.0969	1.0974	2.5368	3.3324
N4	1.3536	2.6464	2.4013		3.3128	2.5968	2.7841	1.0072	1.0073
H5	2.1528	2.8453	1.0894	3.3128		1.7855	1.7789	3.5907	4.1606
H6	2.1596	3.5871	1.0969	2.5968	1.7855		1.7790	2.4495	3.5896
H7	2.1453	3.3999	1.0974	2.7841	1.7789	1.7790		2.6928	3.6771
H8	2.0607	3.5656	2.5368	1.0072	3.5907	2.4495	2.6928		1.7291
H9	2.0375	2.7854	3.3324	1.0073	4.1606	3.5896	3.6771	1.7291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.354	C1	C3	H6	110.447
C1	C3	H7	109.287	C1	N4	H8	120.898
C1	N4	H9	118.580	S2	C1	C3	123.541
S2	C1	N4	122.980	C3	C1	N4	113.479
H5	C3	H6	109.504	H5	C3	H7	108.869
H6	C3	H7	108.335	H8	N4	H9	118.265

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)