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	hartrees
Energy at 0K	-316.337545
Energy at 298.15K
HF Energy	-315.348073
Nuclear repulsion energy	211.705379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	2947	7.57
2	A₁	2385	2247	0.45
3	A₁	858	809	10.13
4	A₁	576	543	0.06
5	A₁	167	157	22.44
6	A₂	338	318	0.00
7	E	2385	2247	4.89
7	E	2385	2247	4.89
8	E	1336	1259	5.19
8	E	1336	1259	5.19
9	E	1060	998	22.29
9	E	1060	998	22.29
10	E	571	538	0.03
10	E	571	538	0.03
11	E	342	322	0.13
11	E	342	322	0.13
12	E	130	123	7.21
12	E	130	123	7.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.509
H2	0.000	0.000	1.603
C3	0.000	1.410	0.056
C4	1.221	-0.705	0.056
C5	-1.221	-0.705	0.056
N6	0.000	2.527	-0.270
N7	2.188	-1.263	-0.270
N8	-2.188	-1.263	-0.270

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0946	1.4809	1.4809	1.4809	2.6441	2.6441	2.6441
H2	1.0946		2.0932	2.0932	2.0932	3.1455	3.1455	3.1455
C3	1.4809	2.0932		2.4423	2.4423	1.1634	3.4702	3.4702
C4	1.4809	2.0932	2.4423		2.4423	3.4702	1.1634	3.4702
C5	1.4809	2.0932	2.4423	2.4423		3.4702	3.4702	1.1634
N6	2.6441	3.1455	1.1634	3.4702	3.4702		4.3765	4.3765
N7	2.6441	3.1455	3.4702	1.1634	3.4702	4.3765		4.3765
N8	2.6441	3.1455	3.4702	3.4702	1.1634	4.3765	4.3765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.511	C1	C4	N7	178.511
C1	C5	N8	178.511	H2	C1	C3	107.787
H2	C1	C4	107.787	H2	C1	C5	107.787
C3	C1	C4	111.101	C3	C1	C5	111.101
C4	C1	C5	111.101

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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