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	hartrees
Energy at 0K	-403.718145
Energy at 298.15K	-403.716487
HF Energy	-403.718145
Nuclear repulsion energy	314.989460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2429	2143	0.00
2	A₁	594	524	0.00
3	E	581	513	0.00
3	E	581	513	0.00
4	E	112	98	0.00
4	E	112	98	0.00
5	T₁	368	325	0.00
5	T₁	368	325	0.00
5	T₁	368	325	0.00
6	T₂	2416	2131	63.95
6	T₂	2416	2131	63.95
6	T₂	2416	2131	63.95
7	T₂	1118	986	25.44
7	T₂	1118	986	25.44
7	T₂	1118	986	25.44
8	T₂	571	503	0.01
8	T₂	571	503	0.01
8	T₂	571	503	0.01
9	T₂	147	130	7.54
9	T₂	147	130	7.54
9	T₂	147	130	7.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.874	0.874	0.874
C3	-0.874	-0.874	0.874
C4	-0.874	0.874	-0.874
C5	0.874	-0.874	-0.874
N6	1.563	1.563	1.563
N7	-1.563	-1.563	1.563
N8	-1.563	1.563	-1.563
N9	1.563	-1.563	-1.563

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.5133	1.5133	1.5133	1.5133	2.7072	2.7072	2.7072	2.7072
C2	1.5133		2.4712	2.4712	2.4712	1.1940	3.5143	3.5143	3.5143
C3	1.5133	2.4712		2.4712	2.4712	3.5143	1.1940	3.5143	3.5143
C4	1.5133	2.4712	2.4712		2.4712	3.5143	3.5143	1.1940	3.5143
C5	1.5133	2.4712	2.4712	2.4712		3.5143	3.5143	3.5143	1.1940
N6	2.7072	1.1940	3.5143	3.5143	3.5143		4.4209	4.4209	4.4209
N7	2.7072	3.5143	1.1940	3.5143	3.5143	4.4209		4.4209	4.4209
N8	2.7072	3.5143	3.5143	1.1940	3.5143	4.4209	4.4209		4.4209
N9	2.7072	3.5143	3.5143	3.5143	1.1940	4.4209	4.4209	4.4209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	180.000	C1	C3	N7	180.000
C1	C4	N8	180.000	C1	C5	N9	180.000
C2	C1	C3	109.471	C2	C1	C4	109.471
C2	C1	C5	109.471	C3	C1	C4	109.471
C3	C1	C5	109.471	C4	C1	C5	109.471

All results from a given calculation for C(CN)₄ (tetracyanomethane)

using model chemistry: PBE1PBE/STO-3G

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	C	0.032
2	C	0.099
3	C	0.099
4	C	0.099
5	C	0.099
6	N	-0.107
7	N	-0.107
8	N	-0.107
9	N	-0.107

<r²>	292.801
(<r²>)^1/2	17.111

All results from a given calculation for C(CN)4 (tetracyanomethane)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for C(CN)₄ (tetracyanomethane)