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	hartrees
Energy at 0K	-492.673970
Energy at 298.15K	-492.677675
HF Energy	-492.476887
Nuclear repulsion energy	93.984725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3493	3493	2.13	204.45	0.33	0.49
2	A'	3078	3078	34.06	124.11	0.40	0.58
3	A'	2722	2722	0.46	113.61	0.32	0.48
4	A'	1652	1652	153.07	12.27	0.25	0.40
5	A'	1399	1399	24.38	7.32	0.11	0.21
6	A'	1213	1213	28.78	13.50	0.60	0.75
7	A'	941	941	54.07	4.65	0.52	0.69
8	A'	710	710	77.80	4.73	0.22	0.36
9	A'	432	432	17.02	3.26	0.47	0.64
10	A"	1063	1063	2.56	0.44	0.75	0.86
11	A"	738	738	79.12	3.16	0.75	0.86
12	A"	386	386	42.68	4.11	0.75	0.86

Atom	x (Å)	y (Å)
N1	1.240	1.046
C2	0.000	0.776
S3	-0.615	-0.881
H4	1.377	2.056
H5	-0.818	1.503
H6	0.606	-1.440

	N1	C2	S3	H4	H5	H6
N1		1.2690	2.6748	1.0196	2.1081	2.5654
C2	1.2690		1.7680	1.8794	1.0938	2.2981
S3	2.6748	1.7680		3.5488	2.3924	1.3434
H4	1.0196	1.8794	3.5488		2.2631	3.5802
H5	2.1081	1.0938	2.3924	2.2631		3.2694
H6	2.5654	2.2981	1.3434	3.5802	3.2694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.612	N1	C2	H5	126.143
C2	N1	H4	109.939	C2	S3	H6	94.234
S3	C2	H5	111.244

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

using model chemistry: B2PLYP=FULL/6-311G**

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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