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	hartrees
Energy at 0K	-492.098179
Energy at 298.15K	-492.101820
HF Energy	-491.587348
Nuclear repulsion energy	93.015927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3433	3433
2	A'	3072	3072
3	A'	2676	2676
4	A'	1611	1611
5	A'	1367	1367
6	A'	1204	1204
7	A'	922	922
8	A'	708	708
9	A'	418	418
10	A"	1027	1027
11	A"	709	709
12	A"	354	354

Atom	x (Å)	y (Å)
N1	1.261	1.049
C2	0.000	0.781
S3	-0.626	-0.886
H4	1.392	2.071
H5	-0.813	1.529
H6	0.606	-1.458

	N1	C2	S3	H4	H5	H6
N1		1.2893	2.7029	1.0295	2.1290	2.5910
C2	1.2893		1.7805	1.8975	1.1049	2.3192
S3	2.7029	1.7805		3.5794	2.4221	1.3582
H4	1.0295	1.8975	3.5794		2.2708	3.6145
H5	2.1290	1.1049	2.4221	2.2708		3.3067
H6	2.5910	2.3192	1.3582	3.6145	3.3067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.590	N1	C2	H5	125.382
C2	N1	H4	109.323	C2	S3	H6	94.314
S3	C2	H5	112.027

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

using model chemistry: CCSD(T)/daug-cc-pVDZ

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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