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	hartrees
Energy at 0K	-492.796917
Energy at 298.15K	-492.800529
HF Energy	-492.796917
Nuclear repulsion energy	94.016055

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'	3653	3653	29.97	125.52	0.64	0.78
2	A'	3506	3506	28.17	241.79	0.16	0.28
3	A'	3043	3043	38.90	144.52	0.33	0.49
4	A'	1615	1615	168.41	5.69	0.74	0.85
5	A'	1438	1438	152.74	2.65	0.19	0.32
6	A'	1301	1301	90.95	4.82	0.72	0.83
7	A'	1123	1123	15.56	13.90	0.45	0.62
8	A'	867	867	10.86	12.48	0.26	0.41
9	A'	428	428	2.68	3.62	0.67	0.80
10	A"	930	930	28.00	0.81	0.75	0.86
11	A"	620	620	5.83	1.69	0.75	0.86
12	A"	304	304	206.99	1.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.644
S2	-0.782	-0.811
N3	1.338	0.822
H4	-0.547	1.597
H5	1.945	0.011
H6	1.752	1.745

	C1	S2	N3	H4	H5	H6
C1		1.6518	1.3498	1.0985	2.0457	2.0695
S2	1.6518		2.6761	2.4187	2.8485	3.5995
N3	1.3498	2.6761		2.0381	1.0134	1.0117
H4	1.0985	2.4187	2.0381		2.9542	2.3045
H5	2.0457	2.8485	1.0134	2.9542		1.7449
H6	2.0695	3.5995	1.0117	2.3045	1.7449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.231	C1	N3	H6	121.763
S2	C1	N3	125.846	S2	C1	H4	121.852
H5	N3	H6	119.006

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B97D3/6-31G**

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	-0.010
2	S	-0.207
3	N	-0.499
4	H	0.139
5	H	0.294
6	H	0.282

	x	y	z	Total
	3.369	3.128	0.000	4.597
CHELPG
AIM
ESP

	x	y	z
x	6.316	2.183	0.000
y	2.183	6.619	0.000
z	0.000	0.000	2.440

<r²>	67.573
(<r²>)^1/2	8.220

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B97D3/6-31G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)