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	hartrees
Energy at 0K	-530.406625
Energy at 298.15K
HF Energy	-530.406625
Nuclear repulsion energy	155.235384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3620	3566	41.27
2	A	3479	3427	39.29
3	A	3096	3050	2.10
4	A	3074	3029	11.50
5	A	2984	2939	13.75
6	A	1576	1552	242.18
7	A	1445	1424	20.11
8	A	1395	1374	20.25
9	A	1368	1348	107.08
10	A	1348	1328	82.64
11	A	1300	1281	48.32
12	A	989	974	0.52
13	A	973	958	2.47
14	A	965	950	14.07
15	A	754	743	6.35
16	A	626	616	15.83
17	A	494	487	17.68
18	A	425	419	1.17
19	A	395	389	171.83
20	A	365	359	1.41
21	A	36	35	2.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.287	0.060	-0.005
S2	-1.358	-0.110	0.000
C3	1.219	-1.106	-0.000
N4	0.882	1.264	-0.000
H5	0.939	-1.807	-0.801
H6	2.278	-0.821	-0.125
H7	1.111	-1.654	0.950
H8	1.896	1.367	-0.002
H9	0.294	2.099	0.013

	C1	S2	C3	N4	H5	H6	H7	H8	H9
C1		1.6535	1.4923	1.3431	2.1312	2.1808	2.1283	2.0733	2.0391
S2	1.6535		2.7629	2.6271	2.9660	3.7074	3.0636	3.5732	2.7580
C3	1.4923	2.7629		2.3934	1.1008	1.1041	1.1026	2.5640	3.3351
N4	1.3431	2.6271	2.3934		3.1740	2.5125	3.0774	1.0194	1.0207
H5	2.1312	2.9660	1.1008	3.1740		1.7957	1.7663	3.4105	4.0412
H6	2.1808	3.7074	1.1041	2.5125	1.7957		1.7926	2.2249	3.5325
H7	2.1283	3.0636	1.1026	3.0774	1.7663	1.7926		3.2637	3.9534
H8	2.0733	3.5732	2.5640	1.0194	3.4105	2.2249	3.2637		1.7604
H9	2.0391	2.7580	3.3351	1.0207	4.0412	3.5325	3.9534	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.623	C1	C3	H6	113.422
C1	C3	H7	109.286	C1	N4	H8	122.115
C1	N4	H9	118.597	S2	C1	C3	122.787
S2	C1	N4	122.153	C3	C1	N4	115.057
H5	C3	H6	109.057	H5	C3	H7	106.572
H6	C3	H7	108.648	H8	N4	H9	119.287

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)

using model chemistry: SVWN/6-31+G**

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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Number	Element	Mulliken
1	C	-0.092
2	S	-0.116
3	C	-0.665
4	N	-0.416
5	H	0.234
6	H	0.164
7	H	0.235
8	H	0.321
9	H	0.335

	x	y	z	Total
	4.406	1.320	0.039	4.600
CHELPG
AIM
ESP

	x	y	z
x	10.878	0.694	0.008
y	0.694	8.483	-0.021
z	0.008	-0.021	5.554

<r²>	108.245
(<r²>)^1/2	10.404

All results from a given calculation for CH3CSNH2 (Ethanethioamide)

using model chemistry: SVWN/6-31+G**

States and conformations

All results from a given calculation for CH₃CSNH₂ (Ethanethioamide)