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	hartrees
Energy at 0K	-492.612694
Energy at 298.15K	-492.616432
HF Energy	-492.612694
Nuclear repulsion energy	94.669122

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'	3758	3586	51.33	98.70	0.63	0.77
2	A'	3612	3447	60.51	170.40	0.15	0.26
3	A'	3129	2986	24.89	127.66	0.33	0.49
4	A'	1657	1582	224.39	4.83	0.73	0.84
5	A'	1487	1419	175.85	2.05	0.17	0.30
6	A'	1345	1283	82.13	4.08	0.67	0.80
7	A'	1152	1099	21.74	13.03	0.42	0.59
8	A'	901	859	15.32	13.02	0.25	0.40
9	A'	438	418	2.50	3.82	0.66	0.80
10	A"	973	929	26.79	0.93	0.75	0.86
11	A"	643	613	12.15	1.26	0.75	0.86
12	A"	376	359	223.72	0.65	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.774	-0.808
N3	1.324	0.822
H4	-0.555	1.582
H5	1.932	0.017
H6	1.732	1.743

	C1	S2	N3	H4	H5	H6
C1		1.6415	1.3370	1.0939	2.0300	2.0536
S2	1.6415		2.6572	2.4001	2.8288	3.5759
N3	1.3370	2.6572		2.0276	1.0091	1.0068
H4	1.0939	2.4001	2.0276		2.9390	2.2931
H5	2.0300	2.8288	1.0091	2.9390		1.7378
H6	2.0536	3.5759	1.0068	2.2931	1.7378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.175	C1	N3	H6	121.732
S2	C1	N3	125.975	S2	C1	H4	121.363
H5	N3	H6	119.093

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HSEh1PBE/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	-0.029
2	S	-0.206
3	N	-0.545
4	H	0.162
5	H	0.315
6	H	0.303

	x	y	z	Total
	3.412	3.274	0.000	4.729
CHELPG
AIM
ESP

	x	y	z
x	6.094	2.131	0.000
y	2.131	6.496	0.000
z	0.000	0.000	2.431

<r²>	66.916
(<r²>)^1/2	8.180

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)