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	hartrees
Energy at 0K	-492.234919
Energy at 298.15K	-492.238580
HF Energy	-491.623934
Nuclear repulsion energy	93.803070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3455	3363
2	A'	3072	2989
3	A'	2700	2628
4	A'	1595	1553
5	A'	1362	1325
6	A'	1196	1163
7	A'	923	898
8	A'	711	692
9	A'	418	407
10	A"	1039	1012
11	A"	721	701
12	A"	370	360

Atom	x (Å)	y (Å)
N1	1.252	1.041
C2	0.000	0.774
S3	-0.621	-0.878
H4	1.386	2.054
H5	-0.806	1.512
H6	0.600	-1.441

	N1	C2	S3	H4	H5	H6
N1		1.2799	2.6818	1.0215	2.1106	2.5663
C2	1.2799		1.7648	1.8871	1.0930	2.2943
S3	2.6818	1.7648		3.5536	2.3973	1.3444
H4	1.0215	1.8871	3.5536		2.2583	3.5821
H5	2.1106	1.0930	2.3973	2.2583		3.2703
H6	2.5663	2.2943	1.3444	3.5821	3.2703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.682	N1	C2	H5	125.436
C2	N1	H4	109.657	C2	S3	H6	94.127
S3	C2	H5	111.882

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

using model chemistry: MP4/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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