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	hartrees
Energy at 0K	-492.141475
Energy at 298.15K	-492.145193
HF Energy	-491.567850
Nuclear repulsion energy	94.460647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3572	3572	4.46
2	A'	3164	3164	19.23
3	A'	2778	2778	2.37
4	A'	1721	1721	122.74
5	A'	1419	1419	23.86
6	A'	1229	1229	30.72
7	A'	953	953	46.74
8	A'	739	739	62.80
9	A'	431	431	20.65
10	A"	1103	1103	4.72
11	A"	754	754	66.68
12	A"	376	376	34.70

Atom	x (Å)	y (Å)
N1	1.234	1.041
C2	0.000	0.770
S3	-0.612	-0.876
H4	1.368	2.048
H5	-0.809	1.500
H6	0.601	-1.438

	N1	C2	S3	H4	H5	H6
N1		1.2637	2.6621	1.0158	2.0937	2.5593
C2	1.2637		1.7566	1.8719	1.0890	2.2889
S3	2.6621	1.7566		3.5317	2.3839	1.3372
H4	1.0158	1.8719	3.5317		2.2444	3.5700
H5	2.0937	1.0890	2.3839	2.2444		3.2586
H6	2.5593	2.2889	1.3372	3.5700	3.2586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.791	N1	C2	H5	125.561
C2	N1	H4	109.934	C2	S3	H6	94.458
S3	C2	H5	111.648

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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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