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	hartrees
Energy at 0K	-492.000790
Energy at 298.15K	-492.004467
HF Energy	-491.542734
Nuclear repulsion energy	93.557535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3419	3280
2	A'	3089	2964
3	A'	2707	2597
4	A'	1653	1585
5	A'	1418	1360
6	A'	1235	1185
7	A'	958	919
8	A'	731	701
9	A'	435	417
10	A"	1061	1018
11	A"	735	705
12	A"	364	349

Atom	x (Å)	y (Å)
N1	1.256	1.038
C2	0.000	0.777
S3	-0.624	-0.879
H4	1.396	2.057
H5	-0.812	1.517
H6	0.602	-1.444

	N1	C2	S3	H4	H5	H6
N1		1.2829	2.6846	1.0286	2.1232	2.5667
C2	1.2829		1.7696	1.8935	1.0987	2.3014
S3	2.6846	1.7696		3.5632	2.4036	1.3494
H4	1.0286	1.8935	3.5632		2.2729	3.5898
H5	2.1232	1.0987	2.4036	2.2729		3.2816
H6	2.5667	2.3014	1.3494	3.5898	3.2816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.346	N1	C2	H5	125.946
C2	N1	H4	109.513	C2	S3	H6	94.130
S3	C2	H5	111.708

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

using model chemistry: QCISD(T)/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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