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	hartrees
Energy at 0K	-492.104597
Energy at 298.15K	-492.108288
HF Energy	-491.567540
Nuclear repulsion energy	94.105161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3537	3350	3.27
2	A'	3139	2973	20.33
3	A'	2756	2611	1.70
4	A'	1712	1622	112.35
5	A'	1414	1340	23.80
6	A'	1226	1162	30.65
7	A'	948	898	44.63
8	A'	728	690	61.65
9	A'	428	405	19.68
10	A"	1098	1040	5.08
11	A"	747	708	64.92
12	A"	363	344	34.32

Atom	x (Å)	y (Å)
N1	1.238	1.045
C2	0.000	0.775
S3	-0.614	-0.880
H4	1.369	2.056
H5	-0.812	1.506
H6	0.601	-1.446

	N1	C2	S3	H4	H5	H6
N1		1.2669	2.6715	1.0188	2.1007	2.5712
C2	1.2669		1.7658	1.8746	1.0921	2.3010
S3	2.6715	1.7658		3.5430	2.3945	1.3401
H4	1.0188	1.8746	3.5430		2.2493	3.5847
H5	2.1007	1.0921	2.3945	2.2493		3.2725
H6	2.5712	2.3010	1.3401	3.5847	3.2725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.647	N1	C2	H5	125.708
C2	N1	H4	109.718	C2	S3	H6	94.616
S3	C2	H5	111.645

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

using model chemistry: CCD/6-31G(2df,p)

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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