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	hartrees
Energy at 0K	-492.416656
Energy at 298.15K	-492.420338
HF Energy	-491.621166
Nuclear repulsion energy	94.223888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3475	3475
2	A'	3079	3079
3	A'	2715	2715
4	A'	1636	1636
5	A'	1388	1388
6	A'	1213	1213
7	A'	936	936
8	A'	717	717
9	A'	425	425
10	A"	1062	1062
11	A"	730	730
12	A"	376	376

Atom	x (Å)	y (Å)
N1	1.243	1.041
C2	0.000	0.769
S3	-0.617	-0.876
H4	1.372	2.051
H5	-0.804	1.505
H6	0.599	-1.436

	N1	C2	S3	H4	H5	H6
N1		1.2726	2.6709	1.0181	2.0989	2.5596
C2	1.2726		1.7570	1.8772	1.0898	2.2852
S3	2.6709	1.7570		3.5384	2.3886	1.3383
H4	1.0181	1.8772	3.5384		2.2427	3.5717
H5	2.0989	1.0898	2.3886	2.2427		3.2586
H6	2.5596	2.2852	1.3383	3.5717	3.2586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.878	N1	C2	H5	125.188
C2	N1	H4	109.570	C2	S3	H6	94.197
S3	C2	H5	111.934

All results from a given calculation for NHCHSH (Methanimidothioic acid)

using model chemistry: CCSD(T)=FULL/Def2TZVPP

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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