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	hartrees
Energy at 0K	-492.803764
Energy at 298.15K	-492.807387
HF Energy	-492.803764
Nuclear repulsion energy	94.287519

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'	3649	3649	31.28	115.51	0.63	0.77
2	A'	3506	3506	30.75	217.59	0.16	0.27
3	A'	3031	3031	34.35	130.86	0.33	0.50
4	A'	1604	1604	153.24	4.95	0.75	0.86
5	A'	1431	1431	165.91	1.90	0.41	0.59
6	A'	1299	1299	84.90	4.68	0.68	0.81
7	A'	1116	1116	13.28	11.50	0.38	0.55
8	A'	868	868	10.60	13.82	0.19	0.33
9	A'	427	427	2.76	2.87	0.57	0.72
10	A"	936	936	21.79	0.80	0.75	0.86
11	A"	625	625	3.14	1.34	0.75	0.86
12	A"	308	308	164.31	1.29	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.641
S2	-0.781	-0.807
N3	1.336	0.817
H4	-0.544	1.595
H5	1.941	0.006
H6	1.752	1.737

	C1	S2	N3	H4	H5	H6
C1		1.6451	1.3473	1.0979	2.0420	2.0664
S2	1.6451		2.6678	2.4134	2.8405	3.5898
N3	1.3473	2.6678		2.0342	1.0117	1.0097
H4	1.0979	2.4134	2.0342		2.9491	2.3001
H5	2.0420	2.8405	1.0117	2.9491		1.7411
H6	2.0664	3.5898	1.0097	2.3001	1.7411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.223	C1	N3	H6	121.843
S2	C1	N3	125.843	S2	C1	H4	121.969
H5	N3	H6	118.935

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B97D3/6-31G(2df,p)

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	0.097
2	S	-0.370
3	N	-0.410
4	H	0.135
5	H	0.279
6	H	0.270

	x	y	z	Total
	3.310	3.080	0.000	4.521
CHELPG
AIM
ESP

	x	y	z
x	6.740	1.995	0.000
y	1.995	6.833	0.000
z	0.000	0.000	3.167

<r²>	67.244
(<r²>)^1/2	8.200

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)