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	hartrees
Energy at 0K	-492.603769
Energy at 298.15K	-492.607442
HF Energy	-492.458225
Nuclear repulsion energy	94.300282

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'	3750	3571	53.36	91.22	0.58	0.74
2	A'	3603	3431	66.05	206.68	0.12	0.21
3	A'	3152	3002	25.43	149.15	0.36	0.52
4	A'	1664	1584	184.28	3.62	0.65	0.79
5	A'	1476	1406	176.93	2.75	0.06	0.11
6	A'	1325	1262	164.97	6.88	0.71	0.83
7	A'	1156	1101	19.40	13.64	0.15	0.26
8	A'	891	848	13.23	20.82	0.15	0.27
9	A'	439	418	1.48	4.51	0.52	0.69
10	A"	961	916	37.37	3.21	0.75	0.86
11	A"	611	582	2.08	0.26	0.75	0.86
12	A"	333	317	224.62	0.10	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.640
S2	-0.781	-0.808
N3	1.336	0.821
H4	-0.550	1.581
H5	1.947	0.018
H6	1.742	1.743

	C1	S2	N3	H4	H5	H6
C1		1.6453	1.3479	1.0903	2.0445	2.0620
S2	1.6453		2.6707	2.4005	2.8502	3.5879
N3	1.3479	2.6707		2.0336	1.0098	1.0076
H4	1.0903	2.4005	2.0336		2.9470	2.2986
H5	2.0445	2.8502	1.0098	2.9470		1.7374
H6	2.0620	3.5879	1.0076	2.2986	1.7374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.574	C1	N3	H6	121.517
S2	C1	N3	126.032	S2	C1	H4	121.354
H5	N3	H6	118.909

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B2PLYP/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	-0.062
2	S	-0.280
3	N	-0.452
4	H	0.157
5	H	0.327
6	H	0.310

	x	y	z	Total
	3.198	3.089	0.000	4.447
CHELPG
AIM
ESP

	x	y	z
x	7.368	2.194	0.000
y	2.194	7.552	0.000
z	0.000	0.000	3.802

<r²>	67.990
(<r²>)^1/2	8.246

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)