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	hartrees
Energy at 0K	-492.925259
Energy at 298.15K	-492.928954
HF Energy	-492.925259
Nuclear repulsion energy	94.574111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3678	3561	36.82
2	A'	3541	3429	39.06
3	A'	3083	2985	29.57
4	A'	1638	1586	165.10
5	A'	1459	1413	162.27
6	A'	1314	1273	120.30
7	A'	1136	1100	17.87
8	A'	882	854	13.15
9	A'	423	410	2.47
10	A"	962	932	26.26
11	A"	636	616	3.48
12	A"	347	336	167.96

Atom	x (Å)	y (Å)
C1	0.000	0.640
S2	-0.777	-0.806
N3	1.329	0.818
H4	-0.549	1.583
H5	1.937	0.013
H6	1.739	1.738

	C1	S2	N3	H4	H5	H6
C1		1.6421	1.3412	1.0908	2.0359	2.0569
S2	1.6421		2.6601	2.4004	2.8347	3.5787
N3	1.3412	2.6601		2.0276	1.0090	1.0071
H4	1.0908	2.4004	2.0276		2.9398	2.2932
H5	2.0359	2.8347	1.0090	2.9398		1.7367
H6	2.0569	3.5787	1.0071	2.2932	1.7367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.385	C1	N3	H6	121.658
S2	C1	N3	125.872	S2	C1	H4	121.569
H5	N3	H6	118.956

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: TPSSh/cc-pVTZ

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	0.005
2	S	-0.300
3	N	-0.141
4	H	0.114
5	H	0.166
6	H	0.155

	x	y	z	Total
	3.270	3.100	0.000	4.506
CHELPG
AIM
ESP

	x	y	z
x	7.017	2.092	0.000
y	2.092	7.183	0.000
z	0.000	0.000	3.451

<r²>	67.161
(<r²>)^1/2	8.195

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)