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	hartrees
Energy at 0K	-26.947257
Energy at 298.15K	-26.946488
HF Energy	-26.548134
Nuclear repulsion energy	35.443070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3409	3327	50.01
2	Σ	2119	2068	6.83
3	Σ	1883	1838	1.87
4	Σ	819	800	0.90
5	Π	703	687	73.11
5	Π	703	687	73.11
6	Π	514	501	1.52
6	Π	514	501	1.52
7	Π	242	237	0.11
7	Π	242	237	0.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.972
C2	0.000	0.000	0.751
C3	0.000	0.000	-0.656
C4	0.000	0.000	-1.900
H5	0.000	0.000	-2.971

	N1	C2	C3	C4	H5
N1		1.2210	2.6277	3.8716	4.9429
C2	1.2210		1.4067	2.6507	3.7219
C3	2.6277	1.4067		1.2439	2.3152
C4	3.8716	2.6507	1.2439		1.0712
H5	4.9429	3.7219	2.3152	1.0712

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	C2	C3	180.000		C2	C3	C4	180.000
C3	C4	H5	180.000

All results from a given calculation for HCCCN (Cyanoacetylene)

using model chemistry: MP2/CEP-121G

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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Number	Element	Mulliken
1	N	0.176
2	C	-0.195
3	C	1.252
4	C	-1.591
5	H	0.358

<r²>	0.000
(<r²>)^1/2	0.000