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	hartrees
Energy at 0K	-491.989842
Energy at 298.15K	-491.993599
HF Energy	-491.587756
Nuclear repulsion energy	94.438256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3610	3354	1.19
2	A'	3166	2941	29.86
3	A'	2738	2544	0.03
4	A'	1757	1633	143.37
5	A'	1472	1368	29.12
6	A'	1278	1187	24.42
7	A'	994	923	53.42
8	A'	753	699	69.70
9	A'	451	419	21.74
10	A"	1126	1047	5.64
11	A"	771	716	86.39
12	A"	372	346	51.25

Atom	x (Å)	y (Å)
N1	1.231	1.043
C2	0.000	0.772
S3	-0.612	-0.878
H4	1.372	2.045
H5	-0.806	1.508
H6	0.603	-1.442

	N1	C2	S3	H4	H5	H6
N1		1.2603	2.6615	1.0123	2.0892	2.5631
C2	1.2603		1.7599	1.8713	1.0907	2.2956
S3	2.6615	1.7599		3.5324	2.3932	1.3397
H4	1.0123	1.8713	3.5324		2.2431	3.5712
H5	2.0892	1.0907	2.3932	2.2431		3.2692
H6	2.5631	2.2956	1.3397	3.5712	3.2692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.718	N1	C2	H5	125.247
C2	N1	H4	110.388	C2	S3	H6	94.590
S3	C2	H5	112.035

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

using model chemistry: CID/6-311G*

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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