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	hartrees
Energy at 0K	-490.982947
Energy at 298.15K	-490.983709
HF Energy	-490.460793
Nuclear repulsion energy	79.843152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3725	3545	285.77
2	A'	2043	1944	666.24
3	A'	899	856	1.94
4	A'	624	594	371.90
5	A'	467	444	101.66
6	A"	497	473	6.42

Atom	x (Å)	y (Å)
N1	-0.170	1.687
C2	0.000	0.489
S3	0.045	-1.076
H4	0.462	2.466

	N1	C2	S3	H4
N1		1.2095	2.7709	1.0031
C2	1.2095		1.5657	2.0295
S3	2.7709	1.5657		3.5656
H4	1.0031	2.0295	3.5656

All results from a given calculation for HNCS (Isothiocyanic acid)

using model chemistry: MP2/Def2TZVPP

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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