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	hartrees
Energy at 0K	-492.306681
Energy at 298.15K	-492.310375
HF Energy	-491.624972
Nuclear repulsion energy	94.207589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3487	3360
2	A'	3108	2995
3	A'	2700	2602
4	A'	1642	1582
5	A'	1384	1333
6	A'	1208	1164
7	A'	937	903
8	A'	719	693
9	A'	424	409
10	A"	1066	1027
11	A"	738	711
12	A"	376	363

Atom	x (Å)	y (Å)
N1	1.242	1.041
C2	0.000	0.771
S3	-0.617	-0.877
H4	1.381	2.048
H5	-0.799	1.506
H6	0.603	-1.433

	N1	C2	S3	H4	H5	H6
N1		1.2708	2.6708	1.0174	2.0931	2.5547
C2	1.2708		1.7596	1.8810	1.0855	2.2848
S3	2.6708	1.7596		3.5425	2.3896	1.3408
H4	1.0174	1.8810	3.5425		2.2460	3.5672
H5	2.0931	1.0855	2.3896	2.2460		3.2559
H6	2.5547	2.2848	1.3408	3.5672	3.2559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.788	N1	C2	H5	125.138
C2	N1	H4	110.089	C2	S3	H6	93.962
S3	C2	H5	112.074

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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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