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	hartrees
Energy at 0K	-492.035476
Energy at 298.15K	-492.039181
HF Energy	-491.559182
Nuclear repulsion energy	94.210290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3591	3345	2.84
2	A'	3189	2971	23.61
3	A'	2822	2629	0.02
4	A'	1716	1599	150.11
5	A'	1444	1345	15.61
6	A'	1245	1160	20.05
7	A'	981	913	57.55
8	A'	749	698	68.83
9	A'	441	411	22.09
10	A"	1093	1018	2.61
11	A"	747	696	92.34
12	A"	350	326	36.20

Atom	x (Å)	y (Å)
N1	1.243	1.044
C2	0.000	0.769
S3	-0.617	-0.877
H4	1.376	2.051
H5	-0.801	1.505
H6	0.591	-1.440

	N1	C2	S3	H4	H5	H6
N1		1.2728	2.6735	1.0165	2.0957	2.5675
C2	1.2728		1.7582	1.8808	1.0879	2.2866
S3	2.6735	1.7582		3.5423	2.3895	1.3319
H4	1.0165	1.8808	3.5423		2.2451	3.5783
H5	2.0957	1.0879	2.3895	2.2451		3.2572
H6	2.5675	2.2866	1.3319	3.5783	3.2572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.976	N1	C2	H5	124.999
C2	N1	H4	109.982	C2	S3	H6	94.446
S3	C2	H5	112.025

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

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

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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