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	hartrees
Energy at 0K	-492.041612
Energy at 298.15K	-492.045326
HF Energy	-491.586739
Nuclear repulsion energy	94.012400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3507	3349	0.18
2	A'	3092	2953	29.48
3	A'	2638	2520	0.31
4	A'	1702	1625	112.57
5	A'	1440	1376	25.28
6	A'	1257	1201	24.49
7	A'	972	928	48.70
8	A'	738	705	66.41
9	A'	443	423	20.77
10	A"	1091	1042	4.91
11	A"	750	717	85.11
12	A"	361	345	48.07

Atom	x (Å)	y (Å)
N1	1.242	1.041
C2	0.000	0.774
S3	-0.617	-0.879
H4	1.379	2.051
H5	-0.807	1.517
H6	0.611	-1.438

	N1	C2	S3	H4	H5	H6
N1		1.2700	2.6721	1.0195	2.1037	2.5574
C2	1.2700		1.7646	1.8795	1.0967	2.2949
S3	2.6721	1.7646		3.5453	2.4028	1.3494
H4	1.0195	1.8795	3.5453		2.2513	3.5722
H5	2.1037	1.0967	2.4028	2.2513		3.2771
H6	2.5574	2.2949	1.3494	3.5722	3.2771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.580	N1	C2	H5	125.306
C2	N1	H4	109.872	C2	S3	H6	93.998
S3	C2	H5	112.114

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

using model chemistry: CCD/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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