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	hartrees
Energy at 0K	-492.170248
Energy at 298.15K	-492.173916
HF Energy	-491.603720
Nuclear repulsion energy	93.663947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3466	3313
2	A'	3095	2959
3	A'	2708	2589
4	A'	1635	1563
5	A'	1412	1350
6	A'	1223	1169
7	A'	943	901
8	A'	715	684
9	A'	432	413
10	A"	1046	1000
11	A"	725	693
12	A"	354	338

Atom	x (Å)	y (Å)
N1	1.246	1.049
C2	0.000	0.779
S3	-0.618	-0.885
H4	1.368	2.063
H5	-0.809	1.514
H6	0.608	-1.439

	N1	C2	S3	H4	H5	H6
N1		1.2749	2.6858	1.0219	2.1066	2.5686
C2	1.2749		1.7748	1.8765	1.0925	2.3003
S3	2.6858	1.7748		3.5547	2.4059	1.3460
H4	1.0219	1.8765	3.5547		2.2452	3.5842
H5	2.1066	1.0925	2.4059	2.2452		3.2754
H6	2.5686	2.3003	1.3460	3.5842	3.2754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.597	N1	C2	H5	125.531
C2	N1	H4	109.082	C2	S3	H6	93.956
S3	C2	H5	111.872

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

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

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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