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	hartrees
Energy at 0K	-314.259960
Energy at 298.15K
HF Energy	-313.579200
Nuclear repulsion energy	211.974838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	3085	7.69
2	A₁	2441	2441	0.29
3	A₁	873	873	12.13
4	A₁	597	597	0.15
5	A₁	193	193	16.25
6	A₂	422	422	0.00
7	E	2430	2430	2.83
7	E	2430	2430	2.83
8	E	1365	1365	0.00
8	E	1365	1365	0.00
9	E	1038	1038	26.13
9	E	1038	1038	26.13
10	E	625	625	0.00
10	E	625	625	0.00
11	E	423	423	0.00
11	E	423	423	0.00
12	E	156	156	5.51
12	E	156	156	5.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.536
H2	0.000	0.000	1.637
C3	0.000	1.408	0.067
C4	1.219	-0.704	0.067
C5	-1.219	-0.704	0.067
N6	0.000	2.512	-0.289
N7	2.176	-1.256	-0.289
N8	-2.176	-1.256	-0.289

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1009	1.4837	1.4837	1.4837	2.6444	2.6444	2.6444
H2	1.1009		2.1086	2.1086	2.1086	3.1657	3.1657	3.1657
C3	1.4837	2.1086		2.4381	2.4381	1.1607	3.4578	3.4578
C4	1.4837	2.1086	2.4381		2.4381	3.4578	1.1607	3.4578
C5	1.4837	2.1086	2.4381	2.4381		3.4578	3.4578	1.1607
N6	2.6444	3.1657	1.1607	3.4578	3.4578		4.3514	4.3514
N7	2.6444	3.1657	3.4578	1.1607	3.4578	4.3514		4.3514
N8	2.6444	3.1657	3.4578	3.4578	1.1607	4.3514	4.3514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.439	C1	C4	N7	179.439
C1	C5	N8	179.439	H2	C1	C3	108.433
H2	C1	C4	108.433	H2	C1	C5	108.433
C3	C1	C4	110.489	C3	C1	C5	110.489
C4	C1	C5	110.489

All results from a given calculation for CH(CN)₃ (tricyanomethane)

using model chemistry: MP3=FULL/3-21G*

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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All results from a given calculation for CH(CN)3 (tricyanomethane)

using model chemistry: MP3=FULL/3-21G*

States and conformations

All results from a given calculation for CH(CN)₃ (tricyanomethane)