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	hartrees
Energy at 0K	-492.181198
Energy at 298.15K	-492.184908
HF Energy	-491.618676
Nuclear repulsion energy	94.456461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3559	3559	7.37
2	A'	3128	3128	16.99
3	A'	2739	2739	2.82
4	A'	1701	1701	150.04
5	A'	1415	1415	21.16
6	A'	1224	1224	23.23
7	A'	952	952	52.82
8	A'	735	735	64.73
9	A'	432	432	20.47
10	A"	1088	1088	2.72
11	A"	743	743	75.63
12	A"	370	370	28.32

Atom	x (Å)	y (Å)
N1	1.234	1.044
C2	0.000	0.767
S3	-0.612	-0.876
H4	1.369	2.051
H5	-0.804	1.502
H6	0.598	-1.446

	N1	C2	S3	H4	H5	H6
N1		1.2644	2.6641	1.0152	2.0890	2.5703
C2	1.2644		1.7542	1.8765	1.0895	2.2928
S3	2.6641	1.7542		3.5347	2.3864	1.3377
H4	1.0152	1.8765	3.5347		2.2417	3.5806
H5	2.0890	1.0895	2.3864	2.2417		3.2648
H6	2.5703	2.2928	1.3377	3.5806	3.2648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	123.086	N1	C2	H5	124.934
C2	N1	H4	110.322	C2	S3	H6	94.769
S3	C2	H5	111.979

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

using model chemistry: MP3/6-311+G(3df,2p)

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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