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	hartrees
Energy at 0K	-492.254676
Energy at 298.15K	-492.258409
HF Energy	-491.623372
Nuclear repulsion energy	94.561370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3560	3320	4.78
2	A'	3156	2943	21.01
3	A'	2751	2565	1.44
4	A'	1722	1606	136.45
5	A'	1431	1334	23.20
6	A'	1236	1153	28.09
7	A'	952	888	49.16
8	A'	730	681	62.40
9	A'	432	403	19.64
10	A"	1114	1039	2.78
11	A"	758	707	71.49
12	A"	381	355	33.37

Atom	x (Å)	y (Å)
N1	1.228	1.048
C2	0.000	0.769
S3	-0.610	-0.879
H4	1.356	2.052
H5	-0.804	1.493
H6	0.604	-1.436

	N1	C2	S3	H4	H5	H6
N1		1.2597	2.6631	1.0122	2.0808	2.5611
C2	1.2597		1.7572	1.8670	1.0821	2.2863
S3	2.6631	1.7572		3.5293	2.3801	1.3357
H4	1.0122	1.8670	3.5293		2.2316	3.5681
H5	2.0808	1.0821	2.3801	2.2316		3.2501
H6	2.5611	2.2863	1.3357	3.5681	3.2501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	123.095	N1	C2	H5	125.210
C2	N1	H4	110.045	C2	S3	H6	94.339
S3	C2	H5	111.695

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

using model chemistry: MP3=FULL/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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