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	hartrees
Energy at 0K	-492.387085
Energy at 298.15K	-492.390770
HF Energy	-491.634195
Nuclear repulsion energy	94.321505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3490	3490
2	A'	3091	3091
3	A'	2693	2693
4	A'	1643	1643
5	A'	1384	1384
6	A'	1205	1205
7	A'	932	932
8	A'	720	720
9	A'	424	424
10	A"	1063	1063
11	A"	732	732
12	A"	376	376

Atom	x (Å)	y (Å)
N1	1.241	1.038
C2	0.000	0.770
S3	-0.616	-0.875
H4	1.379	2.045
H5	-0.804	1.505
H6	0.601	-1.435

	N1	C2	S3	H4	H5	H6
N1		1.2694	2.6662	1.0161	2.0969	2.5538
C2	1.2694		1.7567	1.8776	1.0889	2.2851
S3	2.6662	1.7567		3.5362	2.3873	1.3402
H4	1.0161	1.8776	3.5362		2.2479	3.5650
H5	2.0969	1.0889	2.3873	2.2479		3.2580
H6	2.5538	2.2851	1.3402	3.5650	3.2580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.728	N1	C2	H5	125.366
C2	N1	H4	109.987	C2	S3	H6	94.136
S3	C2	H5	111.906

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

using model chemistry: QCISD(T)=FULL/cc-pVQZ

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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