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	hartrees
Energy at 0K	-492.058379
Energy at 298.15K	-492.062080
HF Energy	-491.603790
Nuclear repulsion energy	94.030945

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'	3506	3323	3.40	179.74	0.30	0.46
2	A'	3128	2965	25.39	115.96	0.36	0.53
3	A'	2773	2629	1.00	103.41	0.25	0.40
4	A'	1630	1545	132.26	11.99	0.18	0.30
5	A'	1410	1337	15.42	7.46	0.08	0.14
6	A'	1218	1154	23.40	13.44	0.60	0.75
7	A'	944	895	52.45	3.85	0.60	0.75
8	A'	732	693	74.93	2.37	0.20	0.34
9	A'	438	416	19.27	3.53	0.46	0.63
10	A"	1056	1001	2.07	0.67	0.75	0.86
11	A"	738	699	83.08	2.19	0.75	0.86
12	A"	367	348	39.07	2.81	0.75	0.86

Atom	x (Å)	y (Å)
N1	1.247	1.039
C2	0.000	0.773
S3	-0.618	-0.878
H4	1.369	2.052
H5	-0.806	1.509
H6	0.602	-1.432

	N1	C2	S3	H4	H5	H6
N1		1.2750	2.6746	1.0203	2.1062	2.5540
C2	1.2750		1.7629	1.8735	1.0913	2.2862
S3	2.6746	1.7629		3.5403	2.3938	1.3408
H4	1.0203	1.8735	3.5403		2.2422	3.5676
H5	2.1062	1.0913	2.3938	2.2422		3.2609
H6	2.5540	2.2862	1.3408	3.5676	3.2609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.574	N1	C2	H5	125.586
C2	N1	H4	108.917	C2	S3	H6	93.896
S3	C2	H5	111.840

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

using model chemistry: MP2/TZVP

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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