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	hartrees
Energy at 0K	-168.874653
Energy at 298.15K	-168.873166
HF Energy	-168.467084
Nuclear repulsion energy	75.158729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3473	3300	57.56
2	A'	2199	2089	9.28
3	A'	1969	1870	2.55
4	A'	857	815	0.61
5	A'	607	577	55.94
6	A'	278	264	0.57
7	A'	171	162	1.15
8	A"	593	563	54.94
9	A"	212	201	0.02

Atom	x (Å)	y (Å)
N1	-0.067	-1.948
C2	-0.021	-0.743
C3	0.000	0.646
C4	0.081	1.878
H5	0.107	2.949

	N1	C2	C3	C4	H5
N1		1.2060	2.5946	3.8292	4.8998
C2	1.2060		1.3888	2.6232	3.6938
C3	2.5946	1.3888		1.2353	2.3054
C4	3.8292	2.6232	1.2353		1.0707
H5	4.8998	3.6938	2.3054	1.0707

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	C2	C3	178.637		C2	C3	C4	177.074
C3	C4	H5	177.574

All results from a given calculation for HCCCN (Cyanoacetylene)

using model chemistry: MP2=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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Number	Element	Mulliken
1	N	-0.245
2	C	0.192
3	C	-0.130
4	C	-0.224
5	H	0.407

<r²>	0.000
(<r²>)^1/2	0.000