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	hartrees
Energy at 0K	-492.025051
Energy at 298.15K	-492.028771
HF Energy	-491.554045
Nuclear repulsion energy	94.208469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3584	3584	0.04
2	A'	3191	3191	28.28
3	A'	2829	2829	0.53
4	A'	1732	1732	116.55
5	A'	1452	1452	20.71
6	A'	1252	1252	28.66
7	A'	984	984	51.80
8	A'	748	748	61.98
9	A'	442	442	19.13
10	A"	1108	1108	4.72
11	A"	756	756	73.61
12	A"	361	361	39.11

Atom	x (Å)	y (Å)
N1	1.242	1.042
C2	0.000	0.773
S3	-0.616	-0.878
H4	1.372	2.050
H5	-0.806	1.504
H6	0.593	-1.435

	N1	C2	S3	H4	H5	H6
N1		1.2707	2.6715	1.0169	2.0988	2.5602
C2	1.2707		1.7618	1.8749	1.0878	2.2859
S3	2.6715	1.7618		3.5394	2.3892	1.3313
H4	1.0169	1.8749	3.5394		2.2452	3.5712
H5	2.0988	1.0878	2.3892	2.2452		3.2545
H6	2.5602	2.2859	1.3313	3.5712	3.2545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.691	N1	C2	H5	125.550
C2	N1	H4	109.585	C2	S3	H6	94.265
S3	C2	H5	111.759

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

using model chemistry: MP3=FULL/6-31G**

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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