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	hartrees
Energy at 0K	-490.312412
Energy at 298.15K	-490.316215
HF Energy	-490.312412
Nuclear repulsion energy	92.229958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3486	3467	20.88
2	A'	3357	3339	24.27
3	A'	3049	3032	25.87
4	A'	1636	1627	110.27
5	A'	1422	1414	116.85
6	A'	1294	1287	109.12
7	A'	1127	1121	13.17
8	A'	793	788	13.85
9	A'	409	407	3.52
10	A"	939	934	40.08
11	A"	665	662	91.17
12	A"	515	512	181.97

Atom	x (Å)	y (Å)
C1	0.000	0.674
S2	-0.784	-0.845
N3	1.342	0.861
H4	-0.571	1.610
H5	1.963	0.043
H6	1.759	1.798

	C1	S2	N3	H4	H5	H6
C1		1.7090	1.3551	1.0968	2.0614	2.0875
S2	1.7090		2.7259	2.4639	2.8868	3.6677
N3	1.3551	2.7259		2.0548	1.0263	1.0256
H4	1.0968	2.4639	2.0548		2.9790	2.3377
H5	2.0614	2.8868	1.0263	2.9790		1.7665
H6	2.0875	3.6677	1.0256	2.3377	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.256	C1	N3	H6	121.915
S2	C1	N3	125.255	S2	C1	H4	121.296
H5	N3	H6	118.829

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.253
2	S	0.002
3	N	-0.600
4	H	0.215
5	H	0.325
6	H	0.312

	x	y	z	Total
	3.623	3.453	0.000	5.005
CHELPG
AIM
ESP

	x	y	z
x	5.634	2.299	0.000
y	2.299	6.269	0.000
z	0.000	0.000	1.715

<r²>	69.807
(<r²>)^1/2	8.355

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)