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	hartrees
Energy at 0K	-492.659661
Energy at 298.15K	-492.663410
HF Energy	-492.659661
Nuclear repulsion energy	94.742353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3733	3585	48.12	107.11	0.62	0.77
2	A'	3595	3452	60.04	189.45	0.16	0.27
3	A'	3110	2987	27.86	140.85	0.34	0.51
4	A'	1650	1584	214.82	3.88	0.62	0.76
5	A'	1479	1420	192.24	0.78	0.06	0.12
6	A'	1339	1286	101.66	2.37	0.60	0.75
7	A'	1150	1105	23.45	11.09	0.45	0.62
8	A'	897	862	18.46	14.71	0.23	0.37
9	A'	438	421	1.88	3.69	0.74	0.85
10	A"	966	928	34.34	0.69	0.75	0.86
11	A"	638	612	8.03	1.40	0.75	0.86
12	A"	381	365	208.51	0.81	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.637
S2	-0.772	-0.810
N3	1.322	0.826
H4	-0.563	1.574
H5	1.935	0.026
H6	1.722	1.750

	C1	S2	N3	H4	H5	H6
C1		1.6401	1.3351	1.0927	2.0294	2.0496
S2	1.6401		2.6569	2.3929	2.8329	3.5731
N3	1.3351	2.6569		2.0274	1.0084	1.0061
H4	1.0927	2.3929	2.0274		2.9387	2.2913
H5	2.0294	2.8329	1.0084	2.9387		1.7366
H6	2.0496	3.5731	1.0061	2.2913	1.7366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.331	C1	N3	H6	121.564
S2	C1	N3	126.203	S2	C1	H4	120.927
H5	N3	H6	119.106

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	-0.110
2	S	-0.175
3	N	-0.365
4	H	0.147
5	H	0.262
6	H	0.241

	x	y	z	Total
	3.397	3.268	0.000	4.714
CHELPG
AIM
ESP

	x	y	z
x	6.375	2.315	0.000
y	2.315	6.831	0.000
z	0.000	0.000	2.558

<r²>	67.226
(<r²>)^1/2	8.199

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)