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	hartrees
Energy at 0K	-492.045114
Energy at 298.15K	-492.048794
HF Energy	-491.586767
Nuclear repulsion energy	93.407644

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'	3473	3330	5.49	179.48	0.27	0.42
2	A'	3114	2986	20.11	116.68	0.33	0.50
3	A'	2732	2620	3.27	104.19	0.15	0.27
4	A'	1605	1539	142.75	21.60	0.18	0.31
5	A'	1363	1307	16.57	5.18	0.08	0.14
6	A'	1200	1151	23.80	13.89	0.40	0.57
7	A'	923	885	52.24	4.86	0.20	0.34
8	A'	725	695	68.72	4.29	0.05	0.10
9	A'	423	406	19.41	2.96	0.27	0.42
10	A"	1036	994	1.59	0.53	0.75	0.86
11	A"	727	697	77.30	1.16	0.75	0.86
12	A"	376	360	28.74	0.05	0.75	0.86

Atom	x (Å)	y (Å)
N1	1.262	1.039
C2	0.000	0.775
S3	-0.626	-0.879
H4	1.394	2.058
H5	-0.812	1.522
H6	0.601	-1.448

	N1	C2	S3	H4	H5	H6
N1		1.2890	2.6908	1.0278	2.1288	2.5736
C2	1.2890		1.7681	1.8949	1.1029	2.3032
S3	2.6908	1.7681		3.5646	2.4074	1.3531
H4	1.0278	1.8949	3.5646		2.2702	3.5952
H5	2.1288	1.1029	2.4074	2.2702		3.2890
H6	2.5736	2.3032	1.3531	3.5952	3.2890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.557	N1	C2	H5	125.564
C2	N1	H4	109.232	C2	S3	H6	94.169
S3	C2	H5	111.879

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

using model chemistry: MP2/aug-cc-pVDZ

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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