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	hartrees
Energy at 0K	-492.878648
Energy at 298.15K	-492.882274
HF Energy	-492.878648
Nuclear repulsion energy	94.096301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3662	3561	38.73
2	A'	3514	3417	35.90
3	A'	3088	3002	33.86
4	A'	1616	1571	190.50
5	A'	1456	1416	143.02
6	A'	1320	1283	85.87
7	A'	1126	1095	14.82
8	A'	883	859	11.81
9	A'	423	411	2.60
10	A"	957	930	25.55
11	A"	636	619	3.32
12	A"	294	286	172.30

Atom	x (Å)	y (Å)
C1	0.000	0.645
S2	-0.780	-0.810
N3	1.334	0.821
H4	-0.550	1.599
H5	1.942	0.006
H6	1.751	1.746

	C1	S2	N3	H4	H5	H6
C1		1.6512	1.3459	1.1014	2.0446	2.0683
S2	1.6512		2.6706	2.4208	2.8421	3.5973
N3	1.3459	2.6706		2.0384	1.0167	1.0146
H4	1.1014	2.4208	2.0384		2.9577	2.3050
H5	2.0446	2.8421	1.0167	2.9577		1.7507
H6	2.0683	3.5973	1.0146	2.3050	1.7507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.202	C1	N3	H6	121.744
S2	C1	N3	125.709	S2	C1	H4	121.873
H5	N3	H6	119.054

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: TPSSh/cc-pVDZ

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	-0.001
2	S	-0.253
3	N	-0.046
4	H	0.067
5	H	0.120
6	H	0.113

	x	y	z	Total
	3.345	3.101	0.000	4.561
CHELPG
AIM
ESP

	x	y	z
x	6.186	2.131	0.000
y	2.131	6.553	0.000
z	0.000	0.000	2.393

<r²>	67.417
(<r²>)^1/2	8.211

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)