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	hartrees
Energy at 0K	-492.311376
Energy at 298.15K	-492.315056
HF Energy	-491.625208
Nuclear repulsion energy	94.193696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3488	3488
2	A'	3080	3080
3	A'	2694	2694
4	A'	1642	1642
5	A'	1378	1378
6	A'	1206	1206
7	A'	931	931
8	A'	718	718
9	A'	422	422
10	A"	1065	1065
11	A"	739	739
12	A"	378	378

Atom	x (Å)	y (Å)
N1	1.242	1.040
C2	0.000	0.772
S3	-0.617	-0.877
H4	1.383	2.047
H5	-0.801	1.507
H6	0.603	-1.434

	N1	C2	S3	H4	H5	H6
N1		1.2704	2.6702	1.0169	2.0957	2.5549
C2	1.2704		1.7603	1.8811	1.0877	2.2865
S3	2.6702	1.7603		3.5426	2.3912	1.3416
H4	1.0169	1.8811	3.5426		2.2498	3.5671
H5	2.0957	1.0877	2.3912	2.2498		3.2592
H6	2.5549	2.2865	1.3416	3.5671	3.2592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.720	N1	C2	H5	125.257
C2	N1	H4	110.167	C2	S3	H6	94.001
S3	C2	H5	112.023

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

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