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	hartrees
Energy at 0K	-131.103234
Energy at 298.15K	-131.102605
HF Energy	-130.695449
Nuclear repulsion energy	46.476300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3322	3322
2	A'	1810	1810
3	A'	1134	1134
4	A'	646	646
5	A'	373	373
6	A"	405	405

Atom	x (Å)	y (Å)
C1	0.098	-1.254
C2	0.000	0.094
N3	-0.202	1.289
H4	0.821	-2.064

	C1	C2	N3	H4
C1		1.3518	2.5603	1.0858
C2	1.3518		1.2114	2.3095
N3	2.5603	1.2114		3.5056
H4	1.0858	2.3095	3.5056

All results from a given calculation for HCCN (cyanomethylene)

using model chemistry: QCISD(TQ)=FULL/aug-cc-pVDZ

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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