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	hartrees
Energy at 0K	-492.001960
Energy at 298.15K	-492.005689
HF Energy	-491.553179
Nuclear repulsion energy	94.199165

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'	3549	3316	0.46	167.79	0.31	0.48
2	A'	3166	2959	29.35	95.44	0.39	0.56
3	A'	2834	2648	0.12	97.18	0.33	0.50
4	A'	1663	1554	109.86	7.70	0.24	0.39
5	A'	1420	1327	15.81	8.28	0.17	0.29
6	A'	1228	1148	30.66	16.27	0.69	0.81
7	A'	971	907	54.05	5.42	0.68	0.81
8	A'	750	701	68.24	2.68	0.24	0.39
9	A'	439	411	18.83	2.65	0.46	0.63
10	A"	1085	1014	3.55	0.56	0.75	0.86
11	A"	752	703	75.20	4.74	0.75	0.86
12	A"	382	357	40.28	1.12	0.75	0.86

Atom	x (Å)	y (Å)
N1	1.253	1.030
C2	0.000	0.770
S3	-0.621	-0.872
H4	1.385	2.041
H5	-0.806	1.504
H6	0.588	-1.430

	N1	C2	S3	H4	H5	H6
N1		1.2794	2.6694	1.0199	2.1129	2.5476
C2	1.2794		1.7554	1.8792	1.0902	2.2775
S3	2.6694	1.7554		3.5363	2.3832	1.3319
H4	1.0199	1.8792	3.5363		2.2553	3.5610
H5	2.1129	1.0902	2.3832	2.2553		3.2487
H6	2.5476	2.2775	1.3319	3.5610	3.2487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.406	N1	C2	H5	125.986
C2	N1	H4	109.109	C2	S3	H6	94.065
S3	C2	H5	111.609

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

using model chemistry: MP2=FULL/6-31G**

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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