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	hartrees
Energy at 0K	-492.858166
Energy at 298.15K	-492.861855
HF Energy	-492.858166
Nuclear repulsion energy	94.271949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3702	3549	39.12
2	A'	3559	3412	43.93
3	A'	3112	2983	30.53
4	A'	1654	1586	178.83
5	A'	1473	1412	166.73
6	A'	1330	1275	107.42
7	A'	1142	1095	19.09
8	A'	883	847	13.54
9	A'	428	410	2.58
10	A"	965	925	28.70
11	A"	636	609	8.21
12	A"	349	335	218.36

Atom	x (Å)	y (Å)
C1	0.000	0.643
S2	-0.779	-0.810
N3	1.333	0.822
H4	-0.549	1.588
H5	1.942	0.014
H6	1.745	1.744

	C1	S2	N3	H4	H5	H6
C1		1.6485	1.3446	1.0930	2.0409	2.0635
S2	1.6485		2.6687	2.4091	2.8428	3.5907
N3	1.3446	2.6687		2.0314	1.0116	1.0099
H4	1.0930	2.4091	2.0314		2.9461	2.2993
H5	2.0409	2.8428	1.0116	2.9461		1.7405
H6	2.0635	3.5907	1.0099	2.2993	1.7405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.360	C1	N3	H6	121.773
S2	C1	N3	125.857	S2	C1	H4	121.661
H5	N3	H6	118.866

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: TPSSh/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	-0.023
2	S	-0.209
3	N	-0.537
4	H	0.157
5	H	0.312
6	H	0.299

	x	y	z	Total
	3.447	3.259	0.000	4.744
CHELPG
AIM
ESP

	x	y	z
x	6.195	2.165	0.000
y	2.165	6.542	0.000
z	0.000	0.000	2.427

<r²>	67.351
(<r²>)^1/2	8.207

All results from a given calculation for CHSNH2 (thioformamide)

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

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)