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	hartrees
Energy at 0K	-492.190194
Energy at 298.15K	-492.193904
HF Energy	-491.623060
Nuclear repulsion energy	94.260347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3544	3348	4.24
2	A'	3134	2961	21.44
3	A'	2748	2596	1.49
4	A'	1707	1612	134.02
5	A'	1418	1340	24.76
6	A'	1230	1162	26.59
7	A'	945	893	47.75
8	A'	725	685	62.79
9	A'	430	406	19.47
10	A"	1097	1037	3.30
11	A"	747	706	70.41
12	A"	371	350	33.49

Atom	x (Å)	y (Å)
N1	1.233	1.050
C2	0.000	0.772
S3	-0.612	-0.881
H4	1.359	2.057
H5	-0.807	1.502
H6	0.605	-1.440

	N1	C2	S3	H4	H5	H6
N1		1.2640	2.6706	1.0148	2.0901	2.5681
C2	1.2640		1.7631	1.8696	1.0881	2.2939
S3	2.6706	1.7631		3.5375	2.3909	1.3388
H4	1.0148	1.8696	3.5375		2.2361	3.5774
H5	2.0901	1.0881	2.3909	2.2361		3.2634
H6	2.5681	2.2939	1.3388	3.5774	3.2634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.976	N1	C2	H5	125.237
C2	N1	H4	109.773	C2	S3	H6	94.384
S3	C2	H5	111.786

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

using model chemistry: MP3/cc-pVTZ

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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