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	hartrees
Energy at 0K	-492.417235
Energy at 298.15K	-492.420915
HF Energy	-491.621121
Nuclear repulsion energy	94.207282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3474	3474
2	A'	3077	3077
3	A'	2714	2714
4	A'	1633	1633
5	A'	1386	1386
6	A'	1212	1212
7	A'	935	935
8	A'	716	716
9	A'	424	424
10	A"	1060	1060
11	A"	730	730
12	A"	376	376

Atom	x (Å)	y (Å)
N1	1.244	1.041
C2	0.000	0.769
S3	-0.617	-0.876
H4	1.372	2.051
H5	-0.804	1.505
H6	0.598	-1.436

	N1	C2	S3	H4	H5	H6
N1		1.2730	2.6714	1.0182	2.0996	2.5598
C2	1.2730		1.7573	1.8775	1.0900	2.2854
S3	2.6714	1.7573		3.5388	2.3888	1.3384
H4	1.0182	1.8775	3.5388		2.2432	3.5719
H5	2.0996	1.0900	2.3888	2.2432		3.2589
H6	2.5598	2.2854	1.3384	3.5719	3.2589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.869	N1	C2	H5	125.202
C2	N1	H4	109.555	C2	S3	H6	94.191
S3	C2	H5	111.929

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

using model chemistry: QCISD(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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