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	hartrees
Energy at 0K	-492.219038
Energy at 298.15K	-492.222717
HF Energy	-491.620828
Nuclear repulsion energy	94.060854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3474	3474
2	A'	3079	3079
3	A'	2703	2703
4	A'	1632	1632
5	A'	1381	1381
6	A'	1210	1210
7	A'	934	934
8	A'	721	721
9	A'	425	425
10	A"	1055	1055
11	A"	726	726
12	A"	376	376

Atom	x (Å)	y (Å)
N1	1.246	1.041
C2	0.000	0.771
S3	-0.618	-0.877
H4	1.374	2.052
H5	-0.805	1.509
H6	0.599	-1.439

	N1	C2	S3	H4	H5	H6
N1		1.2753	2.6751	1.0194	2.1037	2.5631
C2	1.2753		1.7599	1.8792	1.0921	2.2894
S3	2.6751	1.7599		3.5429	2.3934	1.3408
H4	1.0194	1.8792	3.5429		2.2457	3.5764
H5	2.1037	1.0921	2.3934	2.2457		3.2652
H6	2.5631	2.2894	1.3408	3.5764	3.2652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.812	N1	C2	H5	125.218
C2	N1	H4	109.455	C2	S3	H6	94.206
S3	C2	H5	111.970

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

using model chemistry: QCISD(T)/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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