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	hartrees
Energy at 0K	-492.098685
Energy at 298.15K	-492.102325
HF Energy	-491.587301
Nuclear repulsion energy	93.000786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3432	3432
2	A'	3070	3070
3	A'	2675	2675
4	A'	1609	1609
5	A'	1365	1365
6	A'	1203	1203
7	A'	921	921
8	A'	707	707
9	A'	417	417
10	A"	1026	1026
11	A"	709	709
12	A"	355	355

Atom	x (Å)	y (Å)
N1	1.261	1.049
C2	0.000	0.781
S3	-0.626	-0.886
H4	1.393	2.071
H5	-0.814	1.529
H6	0.606	-1.457

	N1	C2	S3	H4	H5	H6
N1		1.2896	2.7033	1.0295	2.1297	2.5911
C2	1.2896		1.7808	1.8981	1.1050	2.3193
S3	2.7033	1.7808		3.5800	2.4221	1.3583
H4	1.0295	1.8981	3.5800		2.2721	3.6146
H5	2.1297	1.1050	2.4221	2.2721		3.3067
H6	2.5911	2.3193	1.3583	3.6146	3.3067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.584	N1	C2	H5	125.415
C2	N1	H4	109.345	C2	S3	H6	94.304
S3	C2	H5	112.001

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

using model chemistry: QCISD(T)/daug-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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